amonafide profile

Amonafide is a synthetic anticancer drug that belongs to the class of quinone-containing compounds. It acts as a DNA intercalator and topoisomerase II inhibitor. It was initially developed in the 1980s for the treatment of hematologic malignancies, but its clinical use has been limited due to its cardiotoxicity. Amonafide's mechanism of action involves binding to DNA, interfering with its replication and transcription. Its effects on cells include apoptosis (programmed cell death) and cell cycle arrest. Its importance lies in its potential to inhibit the growth of cancer cells, particularly in hematological malignancies. Amonafide is studied to understand its anticancer activity, to identify its limitations, and to develop safer and more effective analogs. Research is ongoing to explore its potential for combination therapies with other anticancer drugs and to explore new therapeutic applications.'

xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	50515
CHEMBL ID	428676
CHEBI ID	94661
SCHEMBL ID	27226
MeSH ID	M0112303

Synonym
amonofide
nci-308847
bdbm50033894
5-amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione
5-amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione (amonafide)
5-amino-2-[2-(dimethylamino)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
5-amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione(amonafide)
HY-10982
benzisoquinolinedione
1h-benz[de]isoquinoline-1, 5-amino-2-[2-(dimethylamino)ethyl]-
nsc-308847
amonafide ,
mls000757039 ,
69408-81-7
NSC308847 ,
nafidimide
NCIMECH_000383
NCI60_002643
bida
cgx-571
xanafide
quinamed
as-1413
m-fa-142
amonafidum [latin]
amonifide
nsc 308847
naphthalimide, 3-amino-n-(2-(dimethylamino)ethyl)-
3-amino-n-(2-(dimethylamino)ethyl)naphthalimide
amonafida [spanish]
1h-benz(de)isoquinoline-1,3(2h)-dione, 5-amino-2-(dimethylamino)ethyl-
amonafide [inn]
m-fa 142
brn 5344673
5-aminomitonafide
fa 142
1h-benz(de)isoquinoline-1,3(2h)-dione, 5-amino-2-(2-(dimethylamino)ethyl)-
3-amino-n-(2-(dimethylamino)ethyl)-1,8-naphthalindicarboximid
1h-benz[de]isoquinoline-1,3(2h)-dione,5-amino-2-[2-(dimethylamino)ethyl]-
5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione
smr000528907
CHEMBL428676 ,
FT-0662118
5-amino-2-[2-(dimethylamino)ethyl]-1h-benz[de]isoquinoline-1,3(2h)-dione;amonafide.
A24926
BRD-K56334280-001-02-8
unii-1q8d39n37l
1q8d39n37l ,
amonafide [usan:inn]
amonafidum
amonafida
D10090
amonafide (usan)
BCP9000321
as1413
CCG-35694
as-1413(amonafide)
NCGC00346513-01
CS-0496
S1367
AKOS015850731
amonafide [who-dd]
amonafide [usan]
amonafide [mart.]
BRD-K56334280-001-03-6
DB05022
MLS006011267
MLS006010419
SCHEMBL27226
5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
5-amino-2-[2-(dimethylamino)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione #
DTXSID30219562
5-amino-2-(2-(dimethylamino)ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
AC-22581
CHEBI:94661
HMS3654H19
nsc308847,as1413
SW219946-1
Q4747531
amonafidedihydrochloride,1h-benz[de]isoquinoline-1,3(2h)-dione,5-amino-2-[2-(dimethylamino)ethyl]-
AS-56124
nsc-758251
nsc758251
11-amino-3-[2-(dimethylamino)ethyl]-3-azatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Excerpt	Reference	Relevance
"Amonafide is a naphthalimide derivative with antitumor activity and has failed to enter clinical phase III, because of its high-variable and unpredictable toxicity. "	( 5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior. Cui, J; Liu, J; Qian, X; Xie, L; Xu, R; Xu, Y, 2011)	1.81
"Amonafide is a DNA intercalator in clinical development for the treatment of cancer. "	( Methoxyethylamino-numonafide is an efficacious and minimally toxic amonafide derivative in murine models of human cancer. Appella, DH; Chen, Z; Huang, S; Liu, Y; Lou, G; Norton, JT; Wang, C; Witschi, MA; Xu, Q, 2011)	2.05
"Amonafide is a novel topoisomerase II (Topo II) inhibitor and DNA intercalator that induces apoptotic signaling by blocking the binding of Topo II to DNA. "	( Amonafide: a potential role in treating acute myeloid leukemia. Allen, SL; Lundberg, AS, 2011)	3.25
"Amonafide is a DNA intercalator and topoisomerase II inhibitor in clinical development for the treatment of neoplastic diseases. "	( Synthesis and anticancer activities of 6-amino amonafide derivatives. Appella, DH; Avram, MJ; Ghosh, S; Huang, S; Kawamura, A; Luong, L; Norton, JT; Sim, E; Stack, MS; Witschi, MA, 2008)	2.05
"Amonafide is a new synthetic anticancer agent whose mechanism of action is through inhibition of macromolecular synthesis as well as DNA intercalation. "	( Phase II trial of amonafide in advanced pancreas cancer. A Southwest Oncology Group study. Fleming, TR; Leichman, CG; Leimert, T; Macdonald, JS; Tangen, C, )	1.91
"Amonafide is a substituted benzisoquinolinedione that exerts its cytotoxicity through effects on macromolecular synthesis and intercalation of DNA. "	( Phase II trial of amonafide in advanced colorectal cancer: a SouthWest Oncology Group study. Brown, TD; Craig, JB; Einstein, AB; Fleming, T; Goodman, PJ; Macdonald, JS, 1993)	2.06
"Amonafide is a new imide derivative of naphthalic acid. "	( Amonafide: An active agent in the treatment of previously untreated advanced breast cancer--a cancer and leukemia group B study (CALGB 8642). Berkowitz, I; Berry, D; Costanza, ME; Duggan, D; Henderson, IC; Kalra, J; Lyss, AP; Ratain, MJ; Shapiro, C; Wu, K, 1995)	3.18
"Amonafide is an active compound for the treatment of patients with advanced breast cancer and should be considered for further evaluation and incorporation in combination chemotherapy."	( Phase II study of amonafide in advanced breast cancer. Depisch, D; Dittrich, C; Gisslinger, H; Haider, K; Kornek, G; Linkesch, W; Scheithauer, W, 1991)	1.34

Excerpt	Reference	Relevance
"Amonafide has shown efficacy in patients with sAML, as well as in patients with poor prognostic characteristics such as older age and unfavorable cytogenetics, all associated with MDR."	( Amonafide: a potential role in treating acute myeloid leukemia. Allen, SL; Lundberg, AS, 2011)	2.53
"Amonafide has significant toxicity but appears to be an inactive drug in metastatic or recurrent squamous cell cancer of the cervix."	( Evaluation of amonafide in cervical cancer, phase II. A SWOG study. Alberts, DS; Craig, JB; Hannigan, EV; Liu, PY; Malviya, VK; Surwit, EA, 1992)	1.37

Excerpt	Reference	Relevance
"Amonafide failed to produce clinical responses in the doses and schedule employed."	( Phase II study of amonafide in advanced pancreatic adenocarcinoma. Abbruzzese, JL; Ajani, JA; Bradof, JE; Daugherty, K; Levin, B; Linke, K; Pazdur, R; Winn, R, 1991)	1.34

Excerpt	Reference	Relevance
" In this study, pharmacokinetic profiles were simulated for 23 patients treated with amonafide, using each patient's individual pharmacokinetic parameters."	( Limited sampling models for amonafide (NSC 308847) pharmacokinetics. Malspeis, L; Ratain, MJ; Schilsky, RL; Staubus, AE, 1988)	0.79
"To determine if variability in toxicity of amonafide during phase II trials could be correlated with pharmacokinetic variability."	( Population pharmacodynamic study of amonafide: a Cancer and Leukemia Group B study. Allen, SL; Costanza, M; Henderson, IC; Ratain, MJ; Rosner, G; Schilsky, RL; Van Echo, DA, 1995)	0.83
"When a pharmacodynamic model is to be considered as the basis for individualized drug dosing, validation of the model is clearly warranted."	( Bootstrap validation of pharmacodynamic models defined via stepwise linear regression. Mick, R; Ratain, MJ, 1994)	0.29
"We have investigated the correlation of clinical responses (decreases of white blood cells and peripheral blasts) with pharmacokinetic and pharmacodynamic parameters in patients with acute myelogenous leukemia who are receiving amonafide."	( The correlation of response with plasma pharmacokinetics and polyamine concentrations in patients with acute myelogenous leukemia receiving amonafide. Benvenuto, JA; Johnston, DA; Nishioka, K, 1993)	0.67
"Amonafide (A) demonstrates dose-related increases in area under the curve (AUC) and Cmax values."	( Clinical pharmacokinetics of amonafide (NSC 308847) in 62 patients. Akerman, S; Allen, SL; Budman, DR; Calabro, A; Chan, K; Fusco, D; Hock, K; Kreis, W; Mittelman, A; Puccio, C; Spigelman, M, 1996)	2.03
" The goal of this study was to construct and validate a pharmacodynamic model-based dosing strategy for amonafide, to try to further decrease inter-patient variability in leukopenia."	( Individualized dosing of amonafide based on a pharmacodynamic model incorporating acetylator phenotype and gender. Berezin, F; Janisch, L; Kut, M; Mick, R; Ratain, MJ; Schilsky, RL; Vogelzang, NJ, 1996)	0.81

Excerpt	Reference	Relevance
" 43 patients with relapsed/refractory or secondary AML or CML blast crisis were enrolled into two phase I dose-escalation studies investigating amonafide as monotherapy or in combination with cytarabine."	( Phase I trials of amonafide as monotherapy and in combination with cytarabine in patients with poor-risk acute myeloid leukemia. Allen, SL; Bennett, JM; Budman, DR; Capizzi, RL; Kolitz, JE; Lundberg, AS, 2010)	0.9

Excerpt	Reference	Relevance
"A study was done on the factors which could modify the oral bioavailability of two new cytotoxic molecules (mitonafide and 2HCl amonafide) when administered in solid form."	( Studies about the oral bioavailability of mitonafide and 2HCl amonafide, two new cytotoxic molecules. Camacho Sánchez, MA; Torres Suárez, AI, 1992)	0.73
"Cell membrane permeability is an important determinant for oral absorption and bioavailability of a drug molecule."	( Highly predictive and interpretable models for PAMPA permeability. Jadhav, A; Kerns, E; Nguyen, K; Shah, P; Sun, H; Xu, X; Yan, Z; Yu, KR, 2017)	0.46
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Excerpt	Relevance	Reference
" At this dosage and schedule, there is no evidence that amonafide has meaningful anti-tumor activity in patients with advanced renal cell carcinoma."	( Phase II evaluation of amonafide in renal cell carcinoma. A Southwest Oncology Group study. Craig, JB; Crawford, ED; Goodman, P; Higano, CS; Kish, JA; Rivkin, SE; Wolf, M, 1991)	0.84
" With the low response rate and the toxicity observed, amonafide at this dosage and schedule has limited use in the treatment of non-small-cell lung cancer."	( Phase II trial of amonafide in patients with stage III and IV non-small-cell lung cancer. Berger, MZ; Dimaggio, JJ; Gralla, RJ; Heelan, RT; Kris, MG; Marks, LD; Potanovich, LM, 1991)	0.86
"A high performance liquid chromatography (HPLC) method for the qualitative and quantitative determination of amonafide (CAS 69408-81-7) and mitonafide (CAS 54824-17-8), two new antineoplastic molecules, in finished pharmaceutical dosage forms (tablets) is developed and validated."	( Qualitative and quantitative determination of two new antitumor agents from 1-8 naphthalimides in tablets. Validation of a high performance liquid chromatography method. Camacho, MA; Gil, ME; Obregón, MM; Ruz, V; Torres, AI, 1994)	0.5
"8 L/hr/m2) is relatively constant within the dosing range of this study."	( Clinical pharmacokinetics of amonafide (NSC 308847) in 62 patients. Akerman, S; Allen, SL; Budman, DR; Calabro, A; Chan, K; Fusco, D; Hock, K; Kreis, W; Mittelman, A; Puccio, C; Spigelman, M, 1996)	0.59
" The goal of this study was to construct and validate a pharmacodynamic model-based dosing strategy for amonafide, to try to further decrease inter-patient variability in leukopenia."	( Individualized dosing of amonafide based on a pharmacodynamic model incorporating acetylator phenotype and gender. Berezin, F; Janisch, L; Kut, M; Mick, R; Ratain, MJ; Schilsky, RL; Vogelzang, NJ, 1996)	0.81
" There may be a steep dose-response curve, based on the significant correlation between myelosuppression and response."	( Amonafide: An active agent in the treatment of previously untreated advanced breast cancer--a cancer and leukemia group B study (CALGB 8642). Berkowitz, I; Berry, D; Costanza, ME; Duggan, D; Henderson, IC; Kalra, J; Lyss, AP; Ratain, MJ; Shapiro, C; Wu, K, 1995)	1.73
"A statistical method for the evaluation of the dissolution stability results and for selecting the most stable formulation within a solid dosage form development is discussed."	( Statistical method for evaluation of dissolution stability in the formulation development of solid dosage forms: tablets of amonafide. Bernabeu, JA; Camacho, MA; Gil-Alegre, ME; Torres-Suarez, AI, 2004)	0.53
" The drug has a 5-position amine that is variably acetylated to form a toxic metabolite in humans, increasing adverse effects and complicating the dosing of amonafide."	( Methoxyethylamino-numonafide is an efficacious and minimally toxic amonafide derivative in murine models of human cancer. Appella, DH; Chen, Z; Huang, S; Liu, Y; Lou, G; Norton, JT; Wang, C; Witschi, MA; Xu, Q, 2011)	0.8

Class	Description
isoquinolines	A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Fumarate hydratase	Homo sapiens (human)	Potency	29.5659	0.0030	8.7949	48.0869	AID1347053
PPM1D protein	Homo sapiens (human)	Potency	10.4353	0.0052	9.4661	32.9993	AID1347411
EWS/FLI fusion protein	Homo sapiens (human)	Potency	9.9314	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
polyprotein	Zika virus	Potency	29.5659	0.0030	8.7949	48.0869	AID1347053
Interferon beta	Homo sapiens (human)	Potency	10.4353	0.0033	9.1582	39.8107	AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytochrome P450 2D6	Homo sapiens (human)	IC50 (µMol)	39.6000	0.0000	2.0151	10.0000	AID240619
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
DNA topoisomerase 1	Homo sapiens (human)	UC50	8.0000	8.0000	8.0000	8.0000	AID297066
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
isoquinoline alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of cellular organofluorine metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
DNA topological change	DNA topoisomerase 1	Homo sapiens (human)
chromatin remodeling	DNA topoisomerase 1	Homo sapiens (human)
circadian rhythm	DNA topoisomerase 1	Homo sapiens (human)
response to xenobiotic stimulus	DNA topoisomerase 1	Homo sapiens (human)
programmed cell death	DNA topoisomerase 1	Homo sapiens (human)
phosphorylation	DNA topoisomerase 1	Homo sapiens (human)
peptidyl-serine phosphorylation	DNA topoisomerase 1	Homo sapiens (human)
circadian regulation of gene expression	DNA topoisomerase 1	Homo sapiens (human)
embryonic cleavage	DNA topoisomerase 1	Homo sapiens (human)
chromosome segregation	DNA topoisomerase 1	Homo sapiens (human)
DNA replication	DNA topoisomerase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2D6	Homo sapiens (human)
iron ion binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2D6	Homo sapiens (human)
heme binding	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	DNA topoisomerase 1	Homo sapiens (human)
DNA binding	DNA topoisomerase 1	Homo sapiens (human)
chromatin binding	DNA topoisomerase 1	Homo sapiens (human)
double-stranded DNA binding	DNA topoisomerase 1	Homo sapiens (human)
single-stranded DNA binding	DNA topoisomerase 1	Homo sapiens (human)
RNA binding	DNA topoisomerase 1	Homo sapiens (human)
DNA topoisomerase type I (single strand cut, ATP-independent) activity	DNA topoisomerase 1	Homo sapiens (human)
protein serine/threonine kinase activity	DNA topoisomerase 1	Homo sapiens (human)
protein binding	DNA topoisomerase 1	Homo sapiens (human)
ATP binding	DNA topoisomerase 1	Homo sapiens (human)
DNA binding, bending	DNA topoisomerase 1	Homo sapiens (human)
protein domain specific binding	DNA topoisomerase 1	Homo sapiens (human)
supercoiled DNA binding	DNA topoisomerase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
mitochondrion	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2D6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2D6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2D6	Homo sapiens (human)
nuclear chromosome	DNA topoisomerase 1	Homo sapiens (human)
P-body	DNA topoisomerase 1	Homo sapiens (human)
fibrillar center	DNA topoisomerase 1	Homo sapiens (human)
male germ cell nucleus	DNA topoisomerase 1	Homo sapiens (human)
nucleus	DNA topoisomerase 1	Homo sapiens (human)
nucleoplasm	DNA topoisomerase 1	Homo sapiens (human)
nucleolus	DNA topoisomerase 1	Homo sapiens (human)
perikaryon	DNA topoisomerase 1	Homo sapiens (human)
protein-DNA complex	DNA topoisomerase 1	Homo sapiens (human)
nucleolus	DNA topoisomerase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (407)

Assay ID	Title	Year	Journal	Article
AID1231823	Induction of DNA intercalation using 5'-r(GUCCGCGGAC)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID325163	Effect on cell proliferation of Sprague-Dawley rat smooth muscle cells after 72 hrs	2008	Bioorganic & medicinal chemistry, Feb-15, Volume: 16, Issue:4	Antiproliferative effects on human tumor cells and rat aortic smooth muscular cells of 2,3-heteroarylmaleimides and heterofused imides.
AID346250	Binding affinity to calf thymus DNA assessed as Scatchard binding constant by fluorescence quenching technique	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Synthesis of new amonafide analogues via coupling reaction and their cytotoxic evaluation and DNA-binding studies.
AID635034	Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Unprecedented synthesis, in vitro and in vivo anti-cancer evaluation of novel triazolonaphthalimide derivatives.
AID1231820	Induction of DNA intercalation using 5'-d(GTCCGCGGAC)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID297010	Antiproliferative activity against A549 cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID171537	Cardiotoxicity measured by the ATP/protein ratio compared with untreated controls using neonatal rat heart myocyte assay.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1153357	Displacement of ethidium bromide from calf thymus DNA by Stern-Volmer plot analysis	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID669428	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in liver at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID106431	Antitumor activity against human mammary carcinoma sensitive MXF7 breast cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID297008	Antiproliferative activity against HCT15 cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID552166	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior.
AID1231822	Induction of DNA intercalation using 5'-r(GCGCGCGC)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID145445	Inhibitory activity against OVCAR-3 cell line	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID214779	Antitumor activity against human melanoma UACC375 cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1782954	Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID669406	Antimetastatic activity against mouse H22 cells xenografted in Kunming mouse assessed as decrease in lung metastasis focuses number at 5 mg/kg, iv administered on day 11 post-tumor injection for 7 days measured on day 18 by hematoxylin and eosin staining	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID297073	Induction of apoptosis in human MCF7 cells assessed as p53 activation	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID32544	Inhibitory activity against AUC375 cell line	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID297042	Hematotoxicity in B6D2F1 mouse assessed as platelet count at 20 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID248690	Cytotoxic concentration against murine P388 leukemia cell line growth determined by microculture tetrazolium-formazan method	2005	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 15, Issue:12	Synthesis, antitumor evaluation and DNA photocleaving activity of novel methylthiazonaphthalimides with aminoalkyl side chains.
AID1506136	Antitumor activity against mouse CT26 cells implanted in Balb/c mouse assessed as solid tumor growth inhibition at 5 mg/kg, iv for 14 consecutive days measured on day 15 relative to control	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID297049	Hematotoxicity in B6D2F1 mouse assessed as RBC count at 10 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1231831	Binding affinity to 5'-d(GCGCGCGC)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID232812	Toxicity ratio of quotient of the IC50 in myocytes divided by the average IC50 for three tumor cell lines	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID1506128	Growth inhibition of mouse CT26 cells after 24 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID447875	Cytotoxicity against human A375 cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID1153344	Cytotoxicity against human SW620 cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1427424	Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 03-15, Volume: 25, Issue:6	5-Ethynylarylnaphthalimides as antitumor agents: Synthesis and biological evaluation.
AID1413655	Cytotoxicity against human SMMC7721 cells after 48 hrs by MTT assay	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Synthesis and biological evaluation of novel asymmetric naphthalene diimide derivatives as anticancer agents depending on ROS generation.
AID1782961	Selectivity index, ratio of IC50 for human HL7702 cells to IC50 for human HepG2 cells	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID1441028	Cytotoxicity against human SMMC7721 cells assessed as cell growth inhibition after 48 hrs by MTT assay	2017	Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5	Design, Synthesis, and Biological Evaluation of Mitochondria-Targeted Flavone-Naphthalimide-Polyamine Conjugates with Antimetastatic Activity.
AID1231824	Induction of DNA intercalation using 5'-d(CGATCG)2-3' at 1:0.5 DNA to compound molar ratio by NMR analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID297050	Hematotoxicity in B6D2F1 mouse assessed as RBC count at 20 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669434	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in brain at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1494063	Antiproliferative activity against human HCT116 cells after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID447876	Cytotoxicity against human HCT8 cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID1637727	Cytotoxicity against human HT-29 cells assessed as reduction in cell viability after 48 hrs by MTT assay
AID1441030	Cytotoxicity against human QSG7701 cells assessed as cell growth inhibition after 48 hrs by MTT assay	2017	Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5	Design, Synthesis, and Biological Evaluation of Mitochondria-Targeted Flavone-Naphthalimide-Polyamine Conjugates with Antimetastatic Activity.
AID669430	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in lung at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1378191	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G2 phase at 10 uM cotreated with chlorambucil after 2 hrs by propidium iodide staining based flow cytometry (Rvb = 11%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1378207	Inhibition of human topoisomerase-2alpha assessed as reduction in enzyme-mediated decatenation at 100 uM using kinetoplast DNA as substrate after 25 mins by ethidium bromide staining based agarose gel electrophoresis method	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1378116	Growth inhibition of human MDA-MB-231 cells preincubated for 6 hrs followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID297031	Hematotoxicity in B6D2F1 mouse assessed as RBC count at 10 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID735565	Cytotoxicity against human A549 cells by SRB assay	2013	European journal of medicinal chemistry, Apr, Volume: 62	Oxo-heterocyclic fused naphthalimides as antitumor agents: synthesis and biological evaluation.
AID1771788	Cytotoxicity against human NCI-H1299 cells assessed as cell viability measured after 96 hrs by XTT assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID1378196	Cell cycle arrest in human WM266.4 cells assessed as accumulation at S phase at 10 uM cotreated with chlorambucil after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 27%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID669422	Toxicity in mouse H22 cells bearing Kunming mouse assessed as change in thymus index number at at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1506174	Induction of apoptosis in mouse CT26 cells assessed as late apoptotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 2.26%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID156168	In vitro cytotoxicity against human prostate carcinoma (PC-3) cell line	2004	Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6	New analogues of amonafide and elinafide, containing aromatic heterocycles: synthesis, antitumor activity, molecular modeling, and DNA binding properties.
AID120677	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 8 mg/kg upon intraperitoneal administration	1985	Journal of medicinal chemistry, Sep, Volume: 28, Issue:9	N-(Aminoalkyl)imide antineoplastic agents. Synthesis and biological activity.
AID462635	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID300005	Growth inhibition of mouse P388 cells by MTT assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID1506126	Growth inhibition of human SMMC7721 cells after 48 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1727977	Antitumor activity against human MGC-803 cells xenografted in BALB/c nude mice assessed as tumor increment rate at 5 mg/kg, ip measured after 21 days relative to control	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID98910	Inhibitory activity against resistant murine leukemia L1210 cell lines.	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID297030	Hematotoxicity in B6D2F1 mouse assessed as RBC count at 5 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID297048	Hematotoxicity in B6D2F1 mouse assessed as RBC count at 5 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID447871	Cell cycle arrest in human HL60 cells assessed as accumulation in G2/M phase at IC50 after 24 hrs by flow cytometry	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID552160	Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior.
AID297015	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 20 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1771787	Cytotoxicity against human WM 266-4 cells assessed as cell viability measured after 96 hrs by XTT assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID99358	Tested for inhibitory activity against murine cell line L12110, a strain resistant to doxorubicin using MTT assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID98202	Antitumor activity against murine L1210 resistant cell line by using MTT assay	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID297006	Antiproliferative activity against Hs683 cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID779459	Antiproliferative activity against human HEL cells after 48 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID761365	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by sulforhodamine B assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID297064	Antitumor activity against mouse MXT-HI cells xenografted in B6D2F1 mouse at 20 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID297021	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 2.5 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID761359	Solubility of the compound in PBS buffer at PH 7.4 after 24 hrs by UV-Visible spectrophotometry	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID1637729	Cytotoxicity against human A549 cells assessed as reduction in cell viability after 48 hrs by MTT assay
AID325165	Partition coefficient, log P of the compound	2008	Bioorganic & medicinal chemistry, Feb-15, Volume: 16, Issue:4	Antiproliferative effects on human tumor cells and rat aortic smooth muscular cells of 2,3-heteroarylmaleimides and heterofused imides.
AID1153359	Inhibition of human DNA topoisomerase-2-mediated decatenation of kinetoplast DNA at 100 uM after 1 hr by electrophoretic analysis relative to control	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1239033	Inhibition of human topoisomerase 2 assessed as reduction in ATP-dependent kDNA decatenation at 100 uM incubated for 30 mins by ethidium bromide staining based electrophoresis method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
AID216595	Activity against human colon carcinoma sensitive WiDr cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1063998	Cytotoxicity against human MCF7 cells assessed as cell viability after 48 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Synthesis, anticancer activity and DNA-binding properties of novel 4-pyrazolyl-1,8-naphthalimide derivatives.
AID1427425	Antiproliferative activity against human HEL cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 03-15, Volume: 25, Issue:6	5-Ethynylarylnaphthalimides as antitumor agents: Synthesis and biological evaluation.
AID223983	Inhibition of lck catalytic domain expressed in baculovirus (Not determined)	2001	Bioorganic & medicinal chemistry letters, Dec-03, Volume: 11, Issue:23	Synthesis of antitumor dendritic imides.
AID1506123	Growth inhibition of human HCT116 cells after 48 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID669132	Cytotoxicity against human HepG2 cells assessed as cell nuclear shrinkage after 48 hrs by Hoechst 33342-based fluorescence-based high-content screening assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID221330	Tested for inhibitory activity against human tumor cell line A549 (a non small, drug resistant cell line that does not produce P-glycoprotein) of lung carcinoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID447878	Cytotoxicity against human HL60 cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID297063	Antitumor activity against human MDA-MB-231 cells xenografted in B6D2F1 mouse at 10 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID103420	Tested for inhibitory activity against human tumor cell line MCF7, a strain resistant to mitoxantrone of breast carcinoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID1231827	Binding affinity to 5'-d(ATATATATATAT)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID98384	Antitumor activity against sensitive L1210 murine leukemia cell lines.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1378219	Antitumor activity against human WM266.4 cells xenografted in athymic Foxn1 nu mouse assessed as tumor growth inhibition at 10 mg/kg, ip cotreated with chlorambucil administered once daily for 3 days followed by resting period of 4 days repeated for 4 wee	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID297023	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 160 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID590714	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay	2011	European journal of medicinal chemistry, Apr, Volume: 46, Issue:4	The novel anti-tumor agents of 4-triazol-1,8-naphthalimides: synthesis, cytotoxicity, DNA intercalation and photocleavage.
AID25315	Acid dissociation constant was determined	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1378195	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G1 phase at 10 uM cotreated with chlorambucil after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 59%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID635037	Cytotoxicity against human HepG2 after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Unprecedented synthesis, in vitro and in vivo anti-cancer evaluation of novel triazolonaphthalimide derivatives.
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID735563	Cytotoxicity against human LO2 cells by SRB assay	2013	European journal of medicinal chemistry, Apr, Volume: 62	Oxo-heterocyclic fused naphthalimides as antitumor agents: synthesis and biological evaluation.
AID1782965	Antitumor activity against human HCC cells xenografted in BALB/c mouse assessed as inhibition of tumor weight at 5 mg/kg, iv administered once daily for 7 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID297007	Antiproliferative activity against U373MG cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669426	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in heart at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID552161	Antiproliferative activity against mouse P388D1 cells after 48 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior.
AID297012	Toxicity in ip dosed B6D2F1 mouse	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID98203	Anti-tumor activity against murine L1210 sensitive cell line by using MTT assay	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID1378225	Toxicity in athymic Foxn1 nu mouse xenografted with human WM266.4 cells assessed as body weight loss at 10 mg/kg, ip cotreated with chlorambucil administered once daily for 7 days followed by resting period of 2 days repeated for 4 weeks starting from 5 d	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1506203	Downregulation of beta-catenin protein expression in human HCT116 cells at 10 uM after 24 hrs by Western blot method	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID297058	Hematotoxicity in B6D2F1 mouse assessed as WBC count at 20 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID552163	Apparent binding affinity to calf thymus DNA by ethidium bromide staining	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior.
AID309217	Cytotoxicity against mouse P388 cells after 48 hrs by tetrazolium-formazan method	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Highly efficient antitumor agents of heterocycles containing sulfur atom: linear and angular thiazonaphthalimides against human lung cancer cell in vitro.
AID294811	Cytotoxicity against human A375 cells in hypoxic condition after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Novel N-oxide of naphthalimides as prodrug leads against hypoxic solid tumor: synthesis and biological evaluation.
AID1494064	Antiproliferative activity against human SMMC7721 cells after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID590716	Cytotoxicity against human SMMC7721 cells after 48 hrs by MTT assay	2011	European journal of medicinal chemistry, Apr, Volume: 46, Issue:4	The novel anti-tumor agents of 4-triazol-1,8-naphthalimides: synthesis, cytotoxicity, DNA intercalation and photocleavage.
AID1378125	Growth inhibition of human NCI-H1299 cells preincubated for 6 hrs followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID669410	Toxicity in mouse H22 cells bearing Kunming mouse assessed as weight loss at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID779451	Growth inhibition of Saccharomyces cerevisiae FM588 expressing wild type rad52 gene at 1 to 100 uM after 24 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID462634	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID297011	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1506163	Induction of apoptosis in human HCT116 cells assessed as necrotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 3.9%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID145906	Tested against OVCAR-3 human ovarian cancer cells by sulforhodamine B (SRB) assay	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID103419	Tested for inhibitory activity against human tumor cell line D40, a strain resistant to doxorubicin of breast carcinoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID1153355	Binding affinity to calf thymus DNA assessed as melting temperature at 30 uM by thermal denaturation assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID145435	Compound was tested for antitumor activity against 33 Human ovarian (OVCAR-3) cell lines.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID297016	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 40 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1494073	Antitumor activity against mouse H22 cells implanted in Swiss mouse assessed as tumor growth inhibition at 5 mg/kg/day, iv administered via tail vein for 7 days relative to control	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID462640	Binding affinity to calf thymus DNA by fluorescent spectra analysis	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID669408	Antimetastatic activity against mouse H22 cells xenografted in Kunming mouse assessed as tumor weight at 5 mg/kg, iv administered on day 11 post-tumor injection for 7 days measured on day 18 (Rvb = 0.34 +/- 0.15 g)	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID215072	An average for IC50 values in the two solid tumor cell lines.	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID214780	Tested against UACC375 human melanoma cancer cells by sulforhodamine B (SRB) assay	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID669412	Toxicity in mouse H22 cells bearing Kunming mouse assessed as decrease in platelet number at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID100813	Tested against L1210 sensitive murine leukemia cells by MTT tetrazolium dye assay	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1153343	Cytotoxicity against human ChaGo cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1506172	Induction of apoptosis in mouse CT26 cells assessed as live cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 89.47%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID297017	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 80 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1378190	Cell cycle arrest in human WM266.4 cells assessed as accumulation at S phase at 10 uM cotreated with chlorambucil after 2 hrs by propidium iodide staining based flow cytometry (Rvb = 27%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID779460	Antiproliferative activity against human SKBR3 cells after 48 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID1506131	Antimigratory activity against human HCT116 cells at 10 uM after 24 hrs by crystal violet staining based transwell assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1441029	Cytotoxicity against human HepG2 cells assessed as cell growth inhibition after 48 hrs by MTT assay	2017	Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5	Design, Synthesis, and Biological Evaluation of Mitochondria-Targeted Flavone-Naphthalimide-Polyamine Conjugates with Antimetastatic Activity.
AID297035	Hematotoxicity in B6D2F1 mouse assessed as WBC count at 5 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID232808	The quotient of the IC50 in the myocytes divided by the mean IC50 in the three cell lines	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1782951	Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID107214	Tested for inhibitory activity against human tumor cell line UA375 of melanoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID248553	Cytotoxic concentration against human A549 lung cancer cell line determined by sulforhodamine B dye-staining method	2005	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 15, Issue:12	Synthesis, antitumor evaluation and DNA photocleaving activity of novel methylthiazonaphthalimides with aminoalkyl side chains.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1727974	Antiproliferative activity against human SK-OV-3 cells by MTT assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID297040	Hematotoxicity in B6D2F1 mouse assessed as platelet count at 5 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID735564	Cytotoxicity against mouse P388 cells by tetrazolium-formazan assay	2013	European journal of medicinal chemistry, Apr, Volume: 62	Oxo-heterocyclic fused naphthalimides as antitumor agents: synthesis and biological evaluation.
AID669131	Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1506175	Induction of apoptosis in mouse CT26 cells assessed as necrotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 4.36%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID120537	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 16 mg/kg upon intraperitoneal administration	1985	Journal of medicinal chemistry, Sep, Volume: 28, Issue:9	N-(Aminoalkyl)imide antineoplastic agents. Synthesis and biological activity.
AID1506137	Toxicity in Balb/c mouse implanted with mouse CT26 cells assessed as changes in body weight at 5 mg/kg, iv for 7 consecutive days starting from day 8 post tumor implantation	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID447880	Cytotoxicity against human HeLa cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID297025	Hematotoxicity in B6D2F1 mouse assessed as platelet count at 5 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1727973	Antiproliferative activity against human T-24 cells by MTT assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID145432	Anti-tumor activity against human OVCAR-3 ovarian cancer cell lines by using MTT assay	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID300008	Growth inhibition of human HeLa cells by MTT assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID106430	Antitumor activity against human mammary carcinoma doxorubicin-resistant MXF7 breast cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID761362	Cytotoxicity against human GES-1 cells after 72 hrs by sulforhodamine B assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID1373382	Cytotoxicity against human MGC803 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 02-15, Volume: 28, Issue:4	Lysosomes-targeting imaging and anticancer properties of novel bis-naphthalimide derivatives.
AID1494085	Antitumor activity against mouse H22 cells implanted in Swiss mouse assessed as inhibition of lung metastasis at 5 mg/kg/day, iv administered via tail vein for 7 days relative to control	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID300009	Growth inhibition of human HL60 cells by MTT assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID1231829	Binding affinity to 5'-d(ATATAGTATATA)-3'/5'-(TATATACTATAT)-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1413658	Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Synthesis and biological evaluation of novel asymmetric naphthalene diimide derivatives as anticancer agents depending on ROS generation.
AID1231828	Binding affinity to 5'-d(ATATATGATATA)-3'/5'-(TATATCATATAT)-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID735560	Inhibition of human topoisomerase 2a-mediated kinetoplast decatenation at 100 uM after 30 mins by agarose gel electrophoresis	2013	European journal of medicinal chemistry, Apr, Volume: 62	Oxo-heterocyclic fused naphthalimides as antitumor agents: synthesis and biological evaluation.
AID1378208	Inhibition of human topoisomerase-2alpha assessed as reduction in enzyme-mediated decatenation at 25 uM using kinetoplast DNA as substrate after 25 mins by ethidium bromide staining based agarose gel electrophoresis method	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID83613	In vitro cytotoxicity against human colon carcinoma (HT-29) cell line	2004	Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6	New analogues of amonafide and elinafide, containing aromatic heterocycles: synthesis, antitumor activity, molecular modeling, and DNA binding properties.
AID297014	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 10 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1506134	Antimetastatic activity against mouse CT26 cells implanted in Balb/c mouse assessed as inhibition of pulmonary metastasis nodules at 5 mg/kg, iv for 7 consecutive days starting from day 8 post tumor implantation measured on day 15 post tumor implantation	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID99359	Tested for inhibitory activity against murine cell line L12110, a strain sensitive to doxorubicin using MTT assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID325164	Antiproliferative activity against human NCI-H460 cells after 72 hrs	2008	Bioorganic & medicinal chemistry, Feb-15, Volume: 16, Issue:4	Antiproliferative effects on human tumor cells and rat aortic smooth muscular cells of 2,3-heteroarylmaleimides and heterofused imides.
AID1231834	Binding affinity to 5'-r(GCGCGCGC)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1782953	Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID654472	Cytotoxicity against human K562 cells by MTT assay	2012	Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8	Selenium-containing naphthalimides as anticancer agents: design, synthesis and bioactivity.
AID297068	Inhibition of human topoisomerase 2-mediated kinetoplast DNA decantation at 50 uM	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669400	Antitumor activity against mouse H22 cells xenografted in Kunming mouse assessed as median survival time at 5 mk/kg, iv administered 24 hrs post-tumor injection for 7 days (Rvb = 12.7 +/- 2.5 days)	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1771789	Cytotoxicity against human MDA-MB-238 cells assessed as cell viability measured after 96 hrs by XTT assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID216596	Activity against human colon carcinoma multi drug resistant (MDR)-WiDr cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1506132	Antimigratory activity against mouse CT26 cells at 10 uM after 24 hrs by crystal violet staining based transwell assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1153345	Cytotoxicity against human HepG2 cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID252821	Scatchard binding constant towards calf thymus DNA; Not reported	2005	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 15, Issue:12	Synthesis, antitumor evaluation and DNA photocleaving activity of novel methylthiazonaphthalimides with aminoalkyl side chains.
AID447873	Cell cycle arrest in human HL60 cells assessed as accumulation in G1 phase at IC50 after 24 hrs by flow cytometry	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID294810	Cytotoxicity against mouse P388 cells by tetrazolium-formazan method	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Novel N-oxide of naphthalimides as prodrug leads against hypoxic solid tumor: synthesis and biological evaluation.
AID447874	Cytotoxicity against human A549 cells by SRB assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID240619	Inhibitory concentration against cytochrome P450 2D6	2004	Journal of medicinal chemistry, Oct-21, Volume: 47, Issue:22	Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.
AID779450	Growth inhibition of isogenic rad52-deficient Saccharomyces cerevisiae FM588 at 1 to 100 uM after 24 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID1782959	Cytotoxicity against human Huh-7 cells assessed as inhibition of cell growth measured after 24 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID8690	Activity against A549 cancer cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID761361	Cytotoxicity against human LO2 cells after 72 hrs by sulforhodamine B assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID297056	Hematotoxicity in B6D2F1 mouse assessed as WBC count at 5 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID294813	Cytotoxicity against V79 cells in hypoxic condition after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Novel N-oxide of naphthalimides as prodrug leads against hypoxic solid tumor: synthesis and biological evaluation.
AID1782955	Cytotoxicity against human A549 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID297036	Hematotoxicity in B6D2F1 mouse assessed as WBC count at 10 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1413656	Cytotoxicity against human MDA-MB-231 cells after 48 hrs by MTT assay	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Synthesis and biological evaluation of novel asymmetric naphthalene diimide derivatives as anticancer agents depending on ROS generation.
AID1727976	Antiproliferative activity against human MGC-803 cells by MTT assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID1727972	Antiproliferative activity against human SMMC-7721 cells by MTT assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID83959	Cytotoxic effect on human colon carcinoma HT-29 cell line	2001	Bioorganic & medicinal chemistry letters, Dec-03, Volume: 11, Issue:23	Synthesis of antitumor dendritic imides.
AID1231833	Binding affinity to 5'-d(GTCCGTCGGAC)-3'/5'-(GTCCGACGGAC)-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID447877	Cytotoxicity against human MCF7 cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID297057	Hematotoxicity in B6D2F1 mouse assessed as WBC count at 10 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1153356	Binding affinity to calf thymus DNA assessed as change in melting temperature at 30 uM by thermal denaturation assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1063999	Cytotoxicity against human HeLa cells assessed as cell viability after 48 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Synthesis, anticancer activity and DNA-binding properties of novel 4-pyrazolyl-1,8-naphthalimide derivatives.
AID669432	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in kidney at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID196905	Cardiotoxicity was measured by using Neonatal rat heart myocyte assay	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID1153342	Cytotoxicity against human BT474 cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1378117	Growth inhibition of human MDA-MB-231 cells preincubated for 6 hrs cotreated with chlorambucil followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID297009	Antiproliferative activity against LoVo cells after 72 hrs by MTT assay	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669402	Antitumor activity against mouse H22 cells xenografted in Kunming mouse assessed as median survival time at 5 mk/kg, iv administered 24 hrs post-tumor injection for 7 days relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID462653	Induction of lysosomal membrane permeabilization in human HeLa cells assessed as acridine orange red fluorescence at 15 uM after 24 hrs by flow cytometry	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID1373380	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 02-15, Volume: 28, Issue:4	Lysosomes-targeting imaging and anticancer properties of novel bis-naphthalimide derivatives.
AID1506127	Growth inhibition of human HCT116 cells after 24 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID101221	Tested for percent increase in life span in L1210 leukemia cells after intraperitoneal dose of 45 mg/kg in mice	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1153354	Cytotoxicity against human WI38 cells at 1 to 60 uM after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID1231832	Binding affinity to 5'-d(GTCCGCGGAC)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1771786	Cytotoxicity against human A 172 cells assessed as cell viability measured after 96 hrs by XTT assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID462638	Cytotoxicity against human MKN45 cells after 72 hrs by MTT assay	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID1231816	Induction of DNA intercalation using 5'-d(ATATATGATATA)-3'/5'-(TATATCATATAT)-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1334832	Cytotoxicity against mouse B16F10 cells measured after 2 days by MTS assay	2017	Bioorganic & medicinal chemistry, 01-15, Volume: 25, Issue:2	Synthesis of novel C4-benzazole naphthalimide derivatives with potent anti-tumor properties against murine melanoma.
AID300007	Growth inhibition of human SMMC7721 cells by MTT assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID1153347	Cytotoxicity against human CaSki cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID761360	Binding affinity to calf thymus DNA assessed as intercalation after 1 hr by fluorescence spectrophotometric analysis	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID1378197	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G2 phase at 10 uM cotreated with chlorambucil after 24 hrs by propidium iodide staining based flow cytometry (Rvb = 11%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID227708	Average mean for IC50 values in the four cell lines (OVCAR-3,OVCAR3,L1210 sensitive,L1210 resistant)	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID625509	Growth inhibition of human A549 cells measured after 72 hrs by SRB assay	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents.
AID297041	Hematotoxicity in B6D2F1 mouse assessed as platelet count at 10 mg/kg, po	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669418	Hematotoxicity in mouse H22 cells bearing Kunming mouse assessed as decrease in bone marrow cell numbers at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID216434	Tested for inhibitory activity against a multi drug resistant (MDR) strain of human colon carcinoma WiDr using sulforhodamine B assay (it is MRP positive but non-P-glycoprotein).	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID1378194	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G2 phase at 10 uM cotreated with chlorambucil after 8 hrs by propidium iodide staining based flow cytometry (Rvb = 11%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID156008	In vitro concentration required to reduce cell number to 50% in human postrate carcinoma (PC-3) culture	2002	Journal of medicinal chemistry, Dec-19, Volume: 45, Issue:26	Synthesis, antitumor activity, molecular modeling, and DNA binding properties of a new series of imidazonaphthalimides.
AID1441040	Antimetastatic activity against human H22 cells xenografted in pulmonary metastasis Kunming mouse model assessed as reduction in tumor metastatic nodules at 5 mg/kg, iv dosed every day starting from day 8 after tumor cell inoculation	2017	Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5	Design, Synthesis, and Biological Evaluation of Mitochondria-Targeted Flavone-Naphthalimide-Polyamine Conjugates with Antimetastatic Activity.
AID83599	Growth inhibitory concentration against human colon adenocarcinoma cell line (HT-29)	2004	Journal of medicinal chemistry, Apr-22, Volume: 47, Issue:9	Synthesis, biological activity, and quantitative structure-activity relationship study of azanaphthalimide and arylnaphthalimide derivatives.
AID462643	Induction of lysosomal membrane permeabilization in human HeLa cells assessed as acridine orange red fluorescence at 5 uM after 24 hrs by flow cytometry	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID1494061	Antiproliferative activity against human K562 cells after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID1153346	Cytotoxicity against human KATO III cells after 3 days by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 24, Issue:13	Synthesis, cytotoxicity, DNA binding and topoisomerase II inhibition of cassiarin A derivatives.
AID462636	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID232811	Toxicity ratio determined by the quotient of IC50 values in the myocytes divided by the average value in the three tumor lines.	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID1506160	Induction of apoptosis in human HCT116 cells assessed as live cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 89.97%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1506125	Growth inhibition of human HepG2 cells after 48 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1506162	Induction of apoptosis in human HCT116 cells assessed as late apoptotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 2.03%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID232810	The quotient of the IC50 is the myocytes divided by the mean IC50 in the four cell lines (OVCAR-3,OVCAR3,L1210 sensitive,L1210 resistant)	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1771784	Inhibition of DNA Topoisomerase-2 in human MDA-MB-238 cells assessed as generation of DNA double strand breaks measuring gamma-H2AX at 2 uM incubated for 24 hrs followed by drug washout and measured after 96 hrs by immunofluorescence assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID590715	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	2011	European journal of medicinal chemistry, Apr, Volume: 46, Issue:4	The novel anti-tumor agents of 4-triazol-1,8-naphthalimides: synthesis, cytotoxicity, DNA intercalation and photocleavage.
AID1378193	Cell cycle arrest in human WM266.4 cells assessed as accumulation at S phase at 10 uM cotreated with chlorambucil after 8 hrs by propidium iodide staining based flow cytometry (Rvb = 27%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID297086	Toxicity in B6D2F1 mouse at 40 mg/kg, ip	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID98386	Antitumor activity against murine leukemia L1210 cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1378192	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G1 phase at 10 uM cotreated with chlorambucil after 8 hrs by propidium iodide staining based flow cytometry (Rvb = 59%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1378123	Growth inhibition of human A172 cells preincubated for 6 hrs cotreated with chlorambucil followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID447872	Cell cycle arrest in human HL60 cells assessed as accumulation in S phase at IC50 after 24 hrs by flow cytometry	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID669129	Cytotoxicity against human MDA-MB-231 cells after 48 hrs by MTT assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID779456	Inhibition of human DNA topoisomerase 2alpha-mediated DNA cleavage assessed as decrease in relaxation of supercoiled pRYG plasmid at 60 uM after 30 mins by agarose gel electrophoresis	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID669396	Antitumor activity against mouse H22 cells xenografted in Kunming mouse assessed as tumor growth inhibition at 5 mg/kg, iv administered on day 8 post-tumor injection for 7 days measured on day 16 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID100812	Tested against L1210 resistant murine leukemia cells by MTT tetrazolium dye assay	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID771402	Binding affinity to calf thymus DNA assessed as DNA intercalation at 50 uM by fluorescence spectrophotometry	2013	European journal of medicinal chemistry, Oct, Volume: 68	Synthesis, in vitro evaluation and molecular modelling of naphthalimide analogue as anticancer agents.
AID1231818	Induction of DNA intercalation using 5'-d(GTAATATTAC)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1413654	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Synthesis and biological evaluation of novel asymmetric naphthalene diimide derivatives as anticancer agents depending on ROS generation.
AID761357	Binding affinity to calf thymus DNA assessed as intercalation at 10 uM after 1 hr by fluorescence spectrophotometry	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID297065	Antitumor activity against human A549 cells xenografted in mouse at 10 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1727979	Antitumor activity against human MGC-803 cells xenografted in BALB/c nude mice assessed as tumor inhibitory rate at 5 mg/kg, ip measured after 21 days relative to control	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID297066	Inhibition of human topoisomerase 1 by DNA unwinding test	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1637728	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability after 48 hrs by MTT assay
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID761363	Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID669130	Cytotoxicity against human K562 cells after 48 hrs by MTT assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1782960	Cytotoxicity against human HL7702 cells assessed as inhibition of cell growth measured after 24 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID300010	Binding affinity to calf thymus DNA	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID103421	Tested for inhibitory activity against human tumor cell line MCF7, a strain sensitive to doxorubicin of breast carcinoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID297022	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 120 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669404	Antimetastatic activity against mouse H22 cells xenografted in Kunming mouse assessed as decrease in lung metastases nodus number at 5 mg/kg, iv administered on day 11 post-tumor injection for 7 days measured on day 18 by hematoxylin and eosin staining re	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID297013	Antitumor activity in L1210 cells xenografted B6D2F1 mouse at 5 mg/kg, ip relative to control	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669134	Cytotoxicity against human HepG2 cells assessed as decrease in mitochondrial membrane potential after 48 hrs by fluorescence-based high-content screening assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID294809	Cytotoxicity against human A549 cells by sulforhodamine B dye staining method	2007	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 17, Issue:8	Novel N-oxide of naphthalimides as prodrug leads against hypoxic solid tumor: synthesis and biological evaluation.
AID1378113	Growth inhibition of human PC3 cells preincubated for 6 hrs followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID669133	Cytotoxicity against human HepG2 cells assessed as mitochondrial permeability augmentation after 48 hrs by fluorescence-based high-content screening assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID87567	In vitro concentration required to reduce cell number to 50% in human cervical carcinoma (HeLa) culture	2002	Journal of medicinal chemistry, Dec-19, Volume: 45, Issue:26	Synthesis, antitumor activity, molecular modeling, and DNA binding properties of a new series of imidazonaphthalimides.
AID1771790	Antitumour activity against human MDA-MB-238 cells xenografted in athymic nude-Foxn 1nu mouse assessed as inhibition of tumour growth at 1.9 mg/kg, ip measured after 5 weeks	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID1782956	Cytotoxicity against cisplatin-resistant human A549 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID115196	The percent increase in life span of compound was measured against P388 Leukemia cells in mice at a dose of 10 mg/kg on days 1,5 and 9	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID1506124	Growth inhibition of human K562 cells after 48 hrs by MTT assay	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1782958	Cytotoxicity against human HepG2 cells assessed as inhibitory of cell growth measured after 24 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID669420	Toxicity in mouse H22 cells bearing Kunming mouse assessed as change in spleen index number at at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1373379	Cytotoxicity against human HeLa cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 02-15, Volume: 28, Issue:4	Lysosomes-targeting imaging and anticancer properties of novel bis-naphthalimide derivatives.
AID83616	In vitro cytotoxicity against HT-29 (human colon adenocarcinoma) cell line.	1997	Journal of medicinal chemistry, Feb-14, Volume: 40, Issue:4	Chromophore-modified bis-naphthalimides: synthesis and antitumor activity of bis-dibenz[de,h]isoquinoline-1,3-diones.
AID1239030	Cytotoxicity against human A549 cells incubated for 24 hrs by sulforhodamine B assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
AID1231835	Binding affinity to 5'-r(GUCCGCGGAC)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID1506204	Downregulation of MMP2 protein expression in human HCT116 cells at 10 uM after 24 hrs by Western blot method	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID592712	Inhibition of GST-tagged Rad9/recombinant human N-terminal domain of RPA70 DNA binding domain interaction by electrophoretic mobility shift assay	2011	Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8	Small molecule inhibitor of the RPA70 N-terminal protein interaction domain discovered using in silico and in vitro methods.
AID1378227	Toxicity in athymic Foxn1 nu mouse xenografted with human WM266.4 cells assessed as body weight loss at 10 mg/kg, ip cotreated with chlorambucil administered once daily for 3 days followed by resting period of 4 days repeated for 4 weeks starting from 5 d	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1239034	Inhibition of calf thymus topoisomerase 1 assessed as reduction in relaxation of supercoiled pBR322 DNA at 100 uM incubated for 30 mins by ethidium bromide staining based electrophoresis method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
AID669414	Toxicity in mouse H22 cells bearing Kunming mouse assessed as decrease in red blood cells number at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID221144	Tested for in vitro for cardiotoxicity by performing neonatal rat heart myocyte assay method	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1506139	Toxicity in Balb/c mouse implanted with mouse CT26 cells assessed as changes in body weight at 5 mg/kg, iv for 14 consecutive days starting from day 8 post tumor implantation	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1782962	Selectivity index, ratio of IC50 for human HL7702 cells to IC50 for human Huh-7 cells	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID156164	Growth inhibitory concentration against human prostate carcinoma (PC-3) cell line	2004	Journal of medicinal chemistry, Apr-22, Volume: 47, Issue:9	Synthesis, biological activity, and quantitative structure-activity relationship study of azanaphthalimide and arylnaphthalimide derivatives.
AID761366	Inhibition of human topoisomerase 2 alpha-mediated decatenation of kinetoplast DNA at 100 uM after 30 mins by agarose gel electrophoresis in presence of ATP relative to control	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID101220	Tested for percent increase in life span in L1210 leukemia cells after intraperitoneal dose of 30 mg/kg in mice	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID216435	Tested for inhibitory activity against a sensitive strain of human colon carcinoma WiDr using sulforhodamine B assay (it is MRP positive but non-P-glycoprotein).	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID1373381	Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 02-15, Volume: 28, Issue:4	Lysosomes-targeting imaging and anticancer properties of novel bis-naphthalimide derivatives.
AID85753	In vitro concentration required to reduce cell number to 50% in human colon carcinoma (HT-29) culture	2002	Journal of medicinal chemistry, Dec-19, Volume: 45, Issue:26	Synthesis, antitumor activity, molecular modeling, and DNA binding properties of a new series of imidazonaphthalimides.
AID1231819	Induction of DNA intercalation using 5'-d(GCGCGCGC)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID153419	Compound was tested against P388 leukemia at % increase in life span (ILS) in mice at 15 mg/kg dosage.	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID1378218	Antitumor activity against human WM266.4 cells xenografted in athymic Foxn1 nu mouse assessed as tumor growth inhibition at 10 mg/kg, ip cotreated with chlorambucil administered once daily for 7 days followed by resting period of 2 days repeated for 4 wee	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1064000	Cytotoxicity against human A549 cells assessed as cell viability after 48 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Synthesis, anticancer activity and DNA-binding properties of novel 4-pyrazolyl-1,8-naphthalimide derivatives.
AID120542	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 2 mg/kg upon intraperitoneal administration	1985	Journal of medicinal chemistry, Sep, Volume: 28, Issue:9	N-(Aminoalkyl)imide antineoplastic agents. Synthesis and biological activity.
AID1441037	Antitumor activity against human H22 cells xenografted in Kunming mouse assessed as suppression of tumor weight at 5 mg/kg, iv dosed every day starting from day 8 after tumor cell inoculation	2017	Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5	Design, Synthesis, and Biological Evaluation of Mitochondria-Targeted Flavone-Naphthalimide-Polyamine Conjugates with Antimetastatic Activity.
AID1506173	Induction of apoptosis in mouse CT26 cells assessed as early apoptotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 3.91%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID40602	Tested for percent tumor growth inhibition in B16 melanoma cells after subcutaneous dose of 30 mg/kg in mice	1993	Journal of medicinal chemistry, Mar-19, Volume: 36, Issue:6	2-substituted 1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones. A new class of antitumor agent.
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID346248	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Synthesis of new amonafide analogues via coupling reaction and their cytotoxic evaluation and DNA-binding studies.
AID1427423	Antiproliferative activity against human SK-BR-3 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 03-15, Volume: 25, Issue:6	5-Ethynylarylnaphthalimides as antitumor agents: Synthesis and biological evaluation.
AID1413657	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Synthesis and biological evaluation of novel asymmetric naphthalene diimide derivatives as anticancer agents depending on ROS generation.
AID88545	In vitro cytotoxicity against human cervical carcinoma (HeLa) cell line	2004	Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6	New analogues of amonafide and elinafide, containing aromatic heterocycles: synthesis, antitumor activity, molecular modeling, and DNA binding properties.
AID1378120	Growth inhibition of human WM266.4 cells preincubated for 6 hrs cotreated with chlorambucil followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1231815	Induction of DNA intercalation using 5'-d(ATATATATATAT)2-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID669128	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID346247	Cytotoxicity against mouse P388D1 cells after 48 hrs by MTT assay	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Synthesis of new amonafide analogues via coupling reaction and their cytotoxic evaluation and DNA-binding studies.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID98911	Inhibitory activity against sensitive L1210 cell lines	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID116824	Percent increase in life span when given at a dose in P388 leukemia cells of mice	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1231821	Induction of DNA intercalation using 5'-d(GTCCGTCGGAC)-3'/5'-(GTCCGACGGAC)-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID214778	Anti-tumor activity against human UACC375 melanoma cell lines by using MTT assay	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID462642	Inhibition of DNA topoisomerase 2-mediated kDNA decatenation at 100 uM	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID447879	Cytotoxicity against mouse P388 cells by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID1378122	Growth inhibition of human A172 cells preincubated for 6 hrs followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID1378126	Growth inhibition of human NCI-H1299 cells preincubated for 6 hrs cotreated with chlorambucil followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID88542	Growth inhibitory concentration against human cervical carcinoma (HeLa) cell line	2004	Journal of medicinal chemistry, Apr-22, Volume: 47, Issue:9	Synthesis, biological activity, and quantitative structure-activity relationship study of azanaphthalimide and arylnaphthalimide derivatives.
AID447870	Cell cycle arrest in human HL60 cells assessed as accumulation in sub-G1 phase at IC50 after 24 hrs by flow cytometry	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Novel naphthalimide derivatives as potential apoptosis-inducing agents: design, synthesis and biological evaluation.
AID462648	Induction of lysosomal membrane permeabilization in human HeLa cells assessed as acridine orange red fluorescence at 10 uM after 24 hrs by flow cytometry	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID1771783	Inhibition of DNA Topoisomerase-2 in human MDA-MB-238 cells assessed as generation of DNA double strand breaks by measuring gamma-H2AX at 2 uM incubated for 24 hrs followed by drug washout and measured after 24 hrs by immunofluorescence assay	2021	European journal of medicinal chemistry, Dec-05, Volume: 225	Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.
AID1231830	Binding affinity to 5'-d(GTAATATTAC)2-3' DNA assessed as change in melting temperature at 1:1 DNA to compound molar ratio by spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID625510	Growth inhibition of human HCT116 cells measured after 72 hrs by SRB assay	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents.
AID1506161	Induction of apoptosis in human HCT116 cells assessed as early apoptotic cells at 10 uM after 24 hrs by annexin V-FITC/propidium iodide staining based flow cytometry (Rvb = 4.1%)	2018	Journal of medicinal chemistry, Aug-09, Volume: 61, Issue:15	Discovery of the Polyamine Conjugate with Benzo[ cd]indol-2(1 H)-one as a Lysosome-Targeted Antimetastatic Agent.
AID1782968	Antimetastatic activity against human HCC cells xenografted in BALB/c mouse assessed as reduction lung metastatic nodules at 5 mg/kg, iv administered once every 2 days for 14 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID297026	Hematotoxicity in B6D2F1 mouse assessed as platelet count at 10 mg/kg, iv	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID1239032	Cytotoxicity against human HCT116 cells incubated for 24 hrs by sulforhodamine B assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
AID297067	Inhibition of human topoisomerase 2 at 50 uM by DNA unwinding test	2007	Journal of medicinal chemistry, Aug-23, Volume: 50, Issue:17	2,2,2-Trichloro-N-({2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin- 5-yl}carbamoyl)acetamide (UNBS3157), a novel nonhematotoxic naphthalimide derivative with potent antitumor activity.
AID669416	Toxicity in mouse H22 cells bearing Kunming mouse assessed as decrease in white blood cells number at 5 mg/kg, iv administered for 7 days measured on day 8 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1782952	Cytotoxicity against human Huh-7 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID669424	Toxicity in mouse H22 cells bearing Kunming mouse assessed pathological changes in spleen at 5 mg/kg, iv administered for 7 days measured on day 8 by hematoxylin and eosin staining relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1231817	Induction of DNA intercalation using 5'-d(ATATAGTATATA)-3'/5'-(TATATACTATAT)-3' at 250 uM by UV-vis spectrophotometric analysis	2015	Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13	Effect of intercalator substituent and nucleotide sequence on the stability of DNA- and RNA-naphthalimide complexes.
AID226658	An average for IC50 values in the two solid tumor cell lines and sensitive L1210 leukemia cell line.	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID1378189	Cell cycle arrest in human WM266.4 cells assessed as accumulation at G1 phase at 10 uM cotreated with chlorambucil after 2 hrs by propidium iodide staining based flow cytometry (Rvb = 59%)	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID669135	Cytotoxicity against human HepG2 cells assessed as acruement in lysosomal mass/pH after 48 hrs by fluorescence-based high-content screening assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID309216	Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B dye assay	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Highly efficient antitumor agents of heterocycles containing sulfur atom: linear and angular thiazonaphthalimides against human lung cancer cell in vitro.
AID115334	The percent increase in life span of compound was measured against P388 Leukemia in mice at at a dose of 15 mg/kg on days 1,5 and 9	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Amino-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H- dibenz[de,h]isoquinoline-1,3-diones. Synthesis, antitumor activity, and quantitative structure--activity relationship.
AID120671	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 4 mg/kg upon intraperitoneal administration	1985	Journal of medicinal chemistry, Sep, Volume: 28, Issue:9	N-(Aminoalkyl)imide antineoplastic agents. Synthesis and biological activity.
AID1727975	Antiproliferative activity against human A549 cells by MTT assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	Design, synthesis and antitumor evaluation of new 1,8-naphthalimide derivatives targeting nuclear DNA.
AID1378119	Growth inhibition of human WM266.4 cells preincubated for 6 hrs followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID669398	Antitumor activity against mouse H22 cells xenografted in Kunming mouse assessed as decrease in cell survival at 5 mg/kg, iv administered on day 8 post-tumor injection for 7 days measured on day 16 relative to vehicle treated control	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Nonhematotoxic naphthalene diimide modified by polyamine: synthesis and biological evaluation.
AID1378114	Growth inhibition of human PC3 cells preincubated for 6 hrs cotreated with chlorambucil followed compound washout measured after 24 hrs by XTT assay	2017	European journal of medicinal chemistry, Sep-29, Volume: 138	Discovery of potent molecular chimera (CM358) to treat human metastatic melanoma.
AID635035	Cytotoxicity against human PC3 cells after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Unprecedented synthesis, in vitro and in vivo anti-cancer evaluation of novel triazolonaphthalimide derivatives.
AID170463	Cardiotoxicity by a neonatal rat heart myocyte assay	1996	Journal of medicinal chemistry, Apr-12, Volume: 39, Issue:8	6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships.
AID779457	Inhibition of human DNA topoisomerase 2alpha-mediated relaxation of supercoiled pRYG plasmid DNA assessed as formation of linearized DNA at 100 uM after 30 mins by agarose gel electrophoresis relative to vehicle-treated control in presence of ethidium bro	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and study of antiproliferative, antitopoisomerase II, DNA-intercalating and DNA-damaging activities of arylnaphthalimides.
AID106296	Antitumor activity against human mammary carcinoma mitoxantrone-resistant MXF7 breast cell line.	1996	Journal of medicinal chemistry, Dec-06, Volume: 39, Issue:25	2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships.
AID1782957	Resistance factor, ratio of IC50 for cisplatin-resistant human A549 cells to IC50 for human A549 cells	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent.
AID761364	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).
AID635038	Cytotoxicity against human SKOV3 cells after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Unprecedented synthesis, in vitro and in vivo anti-cancer evaluation of novel triazolonaphthalimide derivatives.
AID223628	Tested for inhibitory activity against human tumor cell line OVCAR-3, a resistant ovarian carcinoma using sulforhodamine B assay.	2000	Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16	Analogues of amonafide and azonafide with novel ring systems.
AID1239031	Cytotoxicity against human HeLa cells incubated for 24 hrs by sulforhodamine B assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition.
AID635036	Cytotoxicity against human U87MG cells after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Unprecedented synthesis, in vitro and in vivo anti-cancer evaluation of novel triazolonaphthalimide derivatives.
AID462637	Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay	2010	Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6	A new class of naphthalimide-based antitumor agents that inhibit topoisomerase II and induce lysosomal membrane permeabilization and apoptosis.
AID1494062	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Synthesis and biological evaluation of novel alkylated polyamine analogues as potential anticancer agents.
AID552162	Binding affinity to calf thymus DNA by fluorescence assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	5-Non-amino aromatic substituted naphthalimides as potential antitumor agents: Synthesis via Suzuki reaction, antiproliferative activity, and DNA-binding behavior.
AID300006	Growth inhibition of human A549 cells by SRB assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Molecular design, chemical synthesis, and biological evaluation of '4-1' pentacyclic aryl/heteroaryl-imidazonaphthalimides.
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1637739	Inhibition of topoisomerase 2 (unknown origin) assessed as reduction in decatenation of kinetoplast DNA at 10 uM incubated for 30 mins by ethidium bromide staining based gel electrophoresis method
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1347412	qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Highly predictive and interpretable models for PAMPA permeability.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	16 (9.47)	18.7374
1990's	56 (33.14)	18.2507
2000's	29 (17.16)	29.6817
2010's	52 (30.77)	24.3611
2020's	16 (9.47)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	42 (24.00%)	5.53%
Reviews	7 (4.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	126 (72.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (5)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Phase III Open-Label Randomized Study of Amonafide L-Malate in Combination With Cytarabine Compared to Daunorubicin in Combination With Cytarabine in Patients With Secondary Acute Myeloid Leukemia (AML)- The ACCEDE Study [NCT00715637]	Phase 3	420 participants (Anticipated)	Interventional	2007-06-30	Active, not recruiting
A Phase IIa Pharmacokinetic and Efficacy Study of Amonafide L-malate (AS1413) in Combination With Cytarabine in Adult Patients With Acute Myeloid Leukemia (AML) [NCT01066494]	Phase 2	20 participants (Anticipated)	Interventional	2010-01-31	Active, not recruiting
Dose-Defining Study of a NAT2 Phenotype-Based Dosing Regimen of Intravenous Amonafide L-Malate Administered Weekly in Men With Androgen-Independent Prostate Cancer (AIPC) [NCT00087854]	Phase 1/Phase 2	40 participants	Interventional	2004-03-31	Completed
Amonafide: Individual Phenotype-Adjusted Chemotherapy for Women With Metastatic Breast Cancer Who Have Progressed Despite Prior Chemotherapy [NCT00074100]	Phase 2	0 participants	Interventional	2003-08-31	Completed
Phase 2 Open-Label Study of Amonafide L-Malate in Combination With Cytarabine in Subjects With Secondary Acute Myeloid Leukemia (AML) [NCT00273884]	Phase 2	80 participants	Interventional	2005-08-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
adenine [no description available]	14.46	113	40	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	2.06	1	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	7.6	1	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
naphthalene [no description available]	2.02	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.03	1	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
b 844-39 [no description available]	2.15	1	0	diarylmethane
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.89	3	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
jtv519 [no description available]	2.89	3	0
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	2.89	3	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
dan 2163 [no description available]	2.89	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.	2.89	3	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amsacrine Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.. amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity.	2.39	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	2.89	3	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.89	3	0	1-benzofurans; aromatic ketone	uricosuric drug
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	2.89	3	0
bufexamac Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.	2.89	3	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine cadralazine: structure given in first source	2.89	3	0	organic molecular entity
caffeine [no description available]	2.07	1	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carvedilol [no description available]	2.63	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.63	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlorambucil Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.	2.78	3	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness	2.89	3	0	diarylmethane
ci 994 tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.	2.89	3	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.	2.59	2	0
fenbendazole Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	2.89	3	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	2.15	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	6.17	5	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
go 6976 [no description available]	2.89	3	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.89	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	2.31	1	0	phenanthridines	fluorochrome; intercalator
homochlorocyclizine homochlorocyclizine: RN given refers to parent cpd	2.89	3	0	diarylmethane
hycanthone Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.. hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.	2.02	1	0	thioxanthenes	mutagen; schistosomicide drug
hydroxyurea [no description available]	3.37	1	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	2.89	3	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ifenprodil ifenprodil: NMDA receptor antagonist	2.89	3	0	piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone ZM39923: structure in first source	2.89	3	0	naphthalenes
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.89	3	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.89	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.89	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.	2.89	3	0	aromatic ether; glycerol ether
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	8.26	6	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	2.89	3	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nortriptyline Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.	2.02	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxibendazole oxibendazole: structure	2.89	3	0	benzimidazoles; carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine 4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source	2.89	3	0
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.89	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.89	3	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.89	3	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available]	2.59	2	0	indoles
ro 31-8220 Ro 31-8220: a protein kinase C inhibitor	2.89	3	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole [no description available]	2.89	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.89	3	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
temozolomide [no description available]	2.31	1	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available]	2.59	2	0	stilbenoid
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	2.15	1	0	aromatic ketone
trimetrexate Trimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.	11.08	3	3
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.89	3	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine zotepine: structure	2.89	3	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	3.1	4	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	2.89	3	0	aromatic ketone
cytarabine [no description available]	5.84	4	2	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
1,8-naphthalenedicarboxylic acid anhydride 1,8-naphthalenedicarboxylic acid anhydride: used as seed protector from herbicides	2.05	1	0	cyclic dicarboxylic anhydride
cyclizine Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.	2.21	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	2.89	3	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	2.89	3	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	2.72	3	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
4-tert-octylphenol 4-tert-octylphenol: structure given in first source	2.89	3	0	alkylbenzene
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	2.02	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	4.46	1	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	2.11	1	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.46	2	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.89	3	0	methoxybenzenes; phenols
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	2.89	3	0	ergoline alkaloid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	2.89	3	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.89	3	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
etonitazene etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals	2.89	3	0
deoxycytidine [no description available]	4.3	3	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
clothiapine clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine	2.89	3	0	dibenzothiazepine
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	2.89	3	0	aromatic ketone
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.89	3	0	phenothiazines
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	7.17	11	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
thenalidine thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure	2.89	3	0	dialkylarylamine; tertiary amino compound
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	9.78	2	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
fludarabine phosphate fludarabine phosphate: structure given in first source. fludarabine phosphate : A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas.	3.07	1	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.89	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer	2.89	3	0	chlorphenamine
dv 1006 [no description available]	2.89	3	0
vidarabine phosphate Vidarabine Phosphate: An adenosine monophosphate analog in which ribose is replaced by an arabinose moiety. It is the monophosphate ester of VIDARABINE with antiviral and possibly antineoplastic properties.	3.07	1	0
4-ipomeanol 4-ipomeanol: lung-toxic furanoterpenoid produced in moldy sweet potatoes in response to fungus infection; RN given refers to cpd without isomeric designation; structure	4.46	1	1	aromatic ketone
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	5.38	2	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide [no description available]	2.52	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
climbazole 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.	2.89	3	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes
triadimenol triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.	2.89	3	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
acodazole [no description available]	2.02	1	0
epirubicin Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.	3.07	1	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	3.07	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
flupirtine flupirtine: RN given refers to parent cpd without isomeric designation	2.89	3	0	aminopyridine
chaetochromin chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A	2.89	3	0
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.89	3	0	aromatic ketone
caracemide [no description available]	8.37	1	1
gusperimus gusperimus: synthesized by chemical modification of spergualin; in combination with cyclosporin A prevents diabetes in predisposed NOD mice; structure given in first source; RN given refers to (-)-isomer trihydrochloride	3.07	1	0	N-acyl-amino acid
flavone acetic acid flavone acetic acid: structure given in first source	3.07	1	0
lm 985 LM 985: structure given in first source; RN given refers to parent cpd	2.02	1	0
brequinar brequinar : A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties.	5.37	2	1	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
piroxantrone [no description available]	4.46	1	1
sulofenur sulofenur: a diarylsulfonylurea	4.46	1	1
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	3.08	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	4.3	3	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	2.89	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
irinotecan [no description available]	11.59	6	1	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
bisnafide bisnafide: structure in first source	1.99	1	0
gallium nitrate gallium nitrate: RN given refers to parent cpd	8.37	1	1
cyclam cyclam: RN given refers to parent cpd; structure given in first source	2.11	1	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.21	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
indocate [no description available]	2.89	3	0
intoplicine intoplicine: structure in first source	3.08	1	0	pyridoindole
naphthalimides Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.	14.45	112	40
N(4)-acetylsulfathiazole N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.	2.89	3	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
cyclizine hydrochloride [no description available]	2.59	2	0
2,3-trimethylene-4-quinazolone 2,3-trimethylene-4-quinazolone: structure in first source	2.89	3	0	quinazolines
1,3-dimethyluric acid 1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.	2.89	3	0	oxopurine	metabolite
danofloxacin [no description available]	2.89	3	0	quinolines
bay h 2049 batracylin: structure given in first source	2.02	1	0
nitrefazole [no description available]	2.89	3	0	imidazoles
6-hydroxyflavone 6-hydroxyflavone: antioxidant; structure in first source	2.06	1	0	hydroxyflavonoid
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.89	3	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
honokiol [no description available]	2.89	3	0	biphenyls
9-methoxyellipticine 9-methoxyellipticine: RN given refers to parent cpd	2.89	3	0
cryptopine cryptopine: structure	2.06	1	0
methyl fluorone black methyl fluorone black: structure	2.06	1	0
3-aminophenoxazone 3-aminophenoxazone: also inhibits sulfatase; structure	2.89	3	0	phenoxazine
3-deazaneplanocin 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist	2.89	3	0
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.89	3	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
2-chlorodiazepam [no description available]	2.89	3	0
Polycartine B [no description available]	2.89	3	0	phenazines
aminoquinuride dihydrochloride [no description available]	2.89	3	0
coenzyme a [no description available]	2.17	1	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
cinchonine [no description available]	2.02	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
thioproperazine mesylate [no description available]	2.89	3	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.89	3	0	6-isopentenylaminopurine	cytokinin
sr 2555 [no description available]	2.02	1	0
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	2.11	1	0	D-glucuronic acid	algal metabolite
4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available]	2.89	3	0	sulfonamide
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.63	2	0
dihydrolenperone dihydrolenperone: structure given in first source	2.02	1	0
hepsulfam hepsulfam: structure given in first source	2.02	1	0
sr141716 [no description available]	2.89	3	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide [no description available]	2.59	2	0	aromatic ketone
fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.	2.89	3	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
parthenolide [no description available]	2.04	1	0	germacranolide
tesmilifene [no description available]	2.89	3	0	diarylmethane
clofarabine [no description available]	2.04	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
sr 27897 SR 27897: structure given in first source; a CCK(A) receptor antagonist	2.89	3	0	indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	2.89	3	0	leucine derivative
norketamine norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation	2.89	3	0	organochlorine compound
indatraline indatraline: RN given for (trans)-isomer; structure in first source	2.63	2	0	indanes
lestaurtinib [no description available]	2.04	1	0	indolocarbazole
methotrexate [no description available]	2.89	3	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
salvinorin a salvinorin A: from the herb, Salvia divinorum	2.21	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide 4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol	2.89	3	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.89	3	0	phenylindole
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	2.89	3	0	piperidines
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	3.09	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
dx 8951 [no description available]	2.89	3	0	pyranoindolizinoquinoline
naphthalenediimide naphthalenediimide: structure in first source	1.96	1	0
tipifarnib [no description available]	2.89	3	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.89	3	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe [no description available]	2.89	3	0	monoterpenoid
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	14.46	113	40	divalent inorganic anion; phosphite ion
l 163191 [no description available]	2.89	3	0
dizocilpine [no description available]	2.89	3	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
s-benzylcysteine [no description available]	2.89	3	0	S-aryl-L-cysteine zwitterion
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.89	3	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
lapatinib [no description available]	2.89	3	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
roxindole [no description available]	2.89	3	0	indoles	alpha-adrenergic antagonist; serotonergic drug
conidendrin [no description available]	2.89	3	0
qlt 0267 [no description available]	2.06	1	0
Porfiromycine [no description available]	2.89	3	0	mitomycin
nogalamycin Nogalamycin: An anthrocycline from a Streptomyces nogalater variant. It is a cytolytic antineoplastic that inhibits DNA-dependent RNA synthesis by binding to DNA.. nogalamycin : An anthracycline antibiotic isolated from Streptomyces nogalater. It is a DNA intercalator and exhibits anticancer properties.	3.07	1	0
nsc 95397 [no description available]	2.89	3	0	1,4-naphthoquinones
5-(2-naphthalenylmethylidene)-1,3-diazinane-2,4,6-trione [no description available]	2.06	1	0	naphthalenes
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.89	3	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.89	3	0
homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.	8.37	1	1	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
menogaril Menogaril: A semisynthetic anthracycline with the amino sugar on the D ring. It displays broad-spectrum antineoplastic activity against a variety of tumors.	3.07	1	0
mitonafide [no description available]	8.96	13	0
pinafide pinafide: structure	1.96	1	0
3-(prop-2-enylthio)-5-thiophen-2-yl-1H-1,2,4-triazole [no description available]	2.06	1	0	aryl sulfide
niguldipine hydrochloride [no description available]	2.63	2	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan [no description available]	2.89	3	0	thiophenes
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.89	3	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.21	1	0	cyclohexenones
carboplatin [no description available]	3.38	1	1
Destruxin B [no description available]	2.89	3	0	cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.89	3	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
pentostatin Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.. pentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.	3.07	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	2.02	1	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.21	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	2.04	1	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
elinafide elinafide: structure given in first source	8.26	6	0
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	3.38	1	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
sitafloxacin [no description available]	2.21	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.89	3	0
jp-1302 [no description available]	2.89	3	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one [no description available]	2.89	3	0	benzodiazepine
tenatoprazole Tenatoprazole: structure in first source	2.89	3	0	imidazopyridine
s 1033 [no description available]	2.89	3	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
benidipine hydrochloride [no description available]	2.59	2	0
benidipine benidipine: RN refers to (R,R)-(+-)-isomer	2.21	1	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one [no description available]	2.89	3	0	quinazolines
sesquiterpenes [no description available]	2.04	1	0
chlorprothixene (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration.	2.89	3	0	chlorprothixene
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	3.1	1	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	2.89	3	0
phenylthiazolylthiourea Phenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.	2.06	1	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	methoxybenzenes; substituted aniline
3-hydroxypyridine, sodium salt [no description available]	2.89	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available]	2.89	3	0	naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide 3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source	2.89	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline [no description available]	2.89	3	0	aromatic amine
2-mercaptonaphth(2,3)imidazole 2-mercaptonaphth(2,3)imidazole: exhibits phosphorescence	2.06	1	0
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.21	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide [no description available]	2.89	3	0	piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol [no description available]	2.89	3	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide [no description available]	2.89	3	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide [no description available]	2.89	3	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone [no description available]	2.89	3	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide [no description available]	2.89	3	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide [no description available]	2.89	3	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione [no description available]	2.89	3	0	maleimides
Src Inhibitor-1 Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.	2.89	3	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one [no description available]	2.89	3	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available]	2.89	3	0	pyrroles
D-fructopyranose [no description available]	2.17	1	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
bi-78d3 [no description available]	2.89	3	0	aryl sulfide
kartogenin kartogenin: promotes chondrocyte differentiation; structure in first source	2.89	3	0
toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.	2.21	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
p-201-1 [no description available]	2.06	1	0
vx-745 [no description available]	2.89	3	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	3.04	4	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
zd 6474 CH 331: structure in first source	2.89	3	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide [no description available]	2.63	2	0	indoles
nih-12848 NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source	2.89	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide [no description available]	2.89	3	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone [no description available]	2.89	3	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile [no description available]	2.89	3	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [no description available]	2.89	3	0	aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester [no description available]	2.89	3	0	oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester [no description available]	2.89	3	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide [no description available]	2.89	3	0	quinolines
LSM-1924 [no description available]	2.89	3	0	organic heterotricyclic compound; organooxygen compound
ferrostatin-1 ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals.	2.89	3	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine [no description available]	2.89	3	0	C-nitro compound
rabeprazole(1-) [no description available]	2.63	2	0	organic nitrogen anion
ncgc00099374 [no description available]	2.89	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide [no description available]	2.89	3	0	benzamides
luteolin [no description available]	2.89	3	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
cyclosporine [no description available]	2.21	1	0
kaempferol [no description available]	2.89	3	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein [no description available]	2.89	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.	2.89	3	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin [no description available]	3.03	4	0	triterpenoid
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.89	3	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein [no description available]	2.89	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
sdz psc 833 valspodar: nonimmunosuppressive cyclosporin analog which is a potent multidrug resistance modifier; 7-10 fold more potent than cyclosporin A; a potent P glycoprotein inhibitor; MW 1215	2.04	1	0	homodetic cyclic peptide
neticonazole neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections.	2.89	3	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid.	2.89	3	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.89	3	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
alpha-zearalenol [no description available]	2.89	3	0	macrolide
su 9516 [no description available]	2.89	3	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.89	3	0	triazolopyrimidines
sb 277011 SB 277011: structure in first source	2.89	3	0
sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source	2.89	3	0
sr 59230a [no description available]	2.89	3	0	tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide [no description available]	2.89	3	0	pyrimidines
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	2.89	3	0	piperazines
MeJA [no description available]	2.89	3	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source	2.89	3	0
pd 161570 PD 161570: structure in first source	2.89	3	0
su 11248 [no description available]	2.15	1	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib [no description available]	2.89	3	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621 [no description available]	2.89	3	0	sulfonamide
gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.	8.37	1	1	boron group element atom
elsamicin a elsamicin A: from actinomycete strain J907-21; structure given in first source	3.38	1	1
virginiamycin factor s1 virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others.	2.89	3	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	7.6	1	0	cysteinium	fundamental metabolite
fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.	2.63	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	2.89	3	0
gw-5074 [no description available]	2.21	1	0
belotecan belotecan: structure in first source	2.89	3	0	pyranoindolizinoquinoline
norgestimate [no description available]	2.89	3	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.89	3	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine [no description available]	2.89	3	0
methiazole methiazole: a parasitostatic agent	2.89	3	0	benzimidazoles; carbamate ester
sb 218795 SB 218795: structure in first source	2.89	3	0	quinolines
bvt.948 [no description available]	2.89	3	0
fk 866 N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source	2.21	1	0	benzamides; N-acylpiperidine
a 38503 [no description available]	2.89	3	0
staurosporine staurosporinium : Conjugate acid of staurosporine.	2.04	1	0	ammonium ion derivative
parthenolide [no description available]	2.58	2	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633 N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source	2.89	3	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.	2.89	3	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.	2.89	3	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source	2.89	3	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	3.04	4	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
valnemulin [no description available]	2.63	2	0
nu 7026 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source	2.89	3	0	organic heterotricyclic compound; organooxygen compound
osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source	2.89	3	0	aromatic amide
ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.	2.89	3	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
l 692585 [no description available]	2.89	3	0	peptide
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	2.89	3	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
nnc 26-9100 NNC 26-9100: structure in first source	2.89	3	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine [no description available]	2.89	3	0
tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source	2.89	3	0	aromatic ether
hki 272 [no description available]	2.21	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available]	2.89	3	0
tae226 TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source	2.89	3	0	morpholines
gw0742 GW 610742: structure in first source	2.89	3	0	monocarboxylic acid
azonafide azonafide: structure given in first source	3.6	9	0
vosaroxin vosaroxin: has antineoplastic activity; vosaroxin was formerly voreloxin; structure in first source	2.06	1	0
u 18666a 3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor.	2.89	3	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor	2.89	3	0	quinoxaline derivative
bx795 BX795: structure in first source	2.89	3	0	ureas
azd 6244 AZD 6244: a MEK inhibitor	2.89	3	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source	2.89	3	0
bay 61-3606 [no description available]	2.89	3	0	pyrimidines
sd-208 [no description available]	2.89	3	0
crenolanib [no description available]	2.89	3	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466 CJ 033466: structure in first source	2.89	3	0
cc 401 CC 401: an anthrapyrazolone	2.89	3	0	pyrazoles; ring assembly
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	2.89	3	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine.	2.89	3	0
cariprazine cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.	2.89	3	0
krp-203 [no description available]	2.89	3	0
regorafenib [no description available]	2.89	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867 [no description available]	2.89	3	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available]	2.89	3	0	pyrroloquinoline
ptc 124 [no description available]	2.89	3	0	oxadiazole; ring assembly
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.63	2	0
bi 2536 [no description available]	2.89	3	0
azd 1152 AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.	2.89	3	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
carfilzomib [no description available]	2.89	3	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	2.89	3	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib [no description available]	2.89	3	0	pyridinecarboxamide
pf-562,271 [no description available]	2.89	3	0	indoles
gliocladin c gliocladin C: structure in first source	2.89	3	0
sb 706504 [no description available]	2.89	3	0
ku-0060648 [no description available]	2.89	3	0	dibenzothiophenes
bgt226 BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.. BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.	2.89	3	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethyldanofloxacin N-desmethyldanofloxacin: structure given in first source	2.89	3	0
rabeprazole sodium [no description available]	2.15	1	0	organic sodium salt
azd 1152-hqpa AZD2811: has antineoplastic activity; structure in first source	2.63	2	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
CDN1163 CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA).	2.89	3	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.45	2	0
gsk 269962a [no description available]	2.89	3	0
pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor	2.89	3	0
nvp-bhg712 [no description available]	2.89	3	0	benzamides
pf 04217903 [no description available]	2.89	3	0	quinolines
cassiarin a cassiarin A: isolated from the leaves of Cassia siamea; structure in first source. cassiarin A : An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.	2.1	1	0
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one [no description available]	2.89	3	0	aromatic ketone
ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.	2.89	3	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
arginine Teniposide: A semisynthetic derivative of PODOPHYLLOTOXIN that exhibits antitumor activity. Teniposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent cells from entering into the mitotic phase of the cell cycle, and lead to cell death. Teniposide acts primarily in the G2 and S phases of the cycle.. teniposide : A furonaphthodioxole that is a synthetic derivative of podophyllotoxin with anti-tumour activity; causes single- and double-stranded breaks in DNA and DNA-protein cross-links and prevents repair by topoisomerase II binding.	3.37	1	1
echinomycin Echinomycin: A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis.	3.07	1	0	cyclodepsipeptide
srt1720 [no description available]	2.89	3	0
purfalcamine purfalcamine: a PfCDPK-1 inhibitor; structure in first source	2.89	3	0
bms 754807 BMS 754807: an IGR-1R kinase inhibitor; structure in first source	2.89	3	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib [no description available]	2.89	3	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
quizartinib [no description available]	2.89	3	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121 [no description available]	2.89	3	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
navitoclax [no description available]	2.89	3	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
gsk 650394 [no description available]	2.89	3	0	phenylpyridine
dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent	2.89	3	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.	2.89	3	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
TAK-580 MLN 2480: brain-penetrant RAF dimer antagonist. TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.	2.89	3	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one [no description available]	2.89	3	0	chromones
pf 3758309 PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source	2.89	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source	2.63	2	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.89	3	0	aryl sulfide; thienopyrimidine
baricitinib [no description available]	2.89	3	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.89	3	0	quinazolines
piperidines Piperidines: A family of hexahydropyridines.	2.17	1	0
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	2.89	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide [no description available]	2.89	3	0	hydroxyquinoline
p505-15 [no description available]	2.89	3	0
mrt67307 MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source	2.89	3	0	aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide [no description available]	2.89	3	0	piperazines
ribociclib ribociclib: inhibits both CDK4 and CDK6	2.89	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone [no description available]	2.89	3	0	aromatic ketone; thienopyrimidine
pha 793887 [no description available]	2.89	3	0	piperidinecarboxamide
gsk 2334470 GSK 2334470: a PDK1 inhibitor; structure in first source	2.21	1	0	indazoles
ml228 probe ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.	2.89	3	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
pf-03882845 [no description available]	2.89	3	0
jq1 compound [no description available]	2.89	3	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
pf-04620110 PF-04620110: a DGAT1 inhibitor; structure in first source	2.89	3	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	2.89	3	0	benzodiazepine
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.21	1	0	dipeptide
torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	2.89	3	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199 venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.	2.89	3	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available]	2.89	3	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide [no description available]	2.89	3	0	(trifluoromethyl)benzenes
ncgc00242364 NCGC00242364: structure in first source	2.89	3	0	quinazolines
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	2.89	3	0	imidazoquinoline
hs-173 [no description available]	2.89	3	0
sr1664 [no description available]	2.89	3	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source	2.89	3	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide [no description available]	2.59	2	0	benzamides; N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.59	2	0	aminoquinoline
cudc-907 [no description available]	2.89	3	0
methacycline Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6.	2.21	1	0
methacycline monohydrochloride [no description available]	2.59	2	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid [no description available]	2.89	3	0	quinolines
agi-5198 AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source	2.89	3	0
cep-32496 agerafenib: inhibitor of RAF family kinases; structure in first source	2.89	3	0
epz004777 [no description available]	2.89	3	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid [no description available]	2.89	3	0	organonitrogen heterocyclic compound
entecavir [no description available]	2.89	3	0	benzamides; N-acylpiperidine
gkt137831 setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative	2.89	3	0
vx-509 [no description available]	2.89	3	0
vx-970 berzosertib: an ATR kinase inhibitor	2.89	3	0	sulfonamide
gs-9973 [no description available]	2.89	3	0
amg 925 AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML).	2.89	3	0
gne-618 GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source	2.89	3	0
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.89	3	0
volitinib [no description available]	2.89	3	0
ML355 ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.	2.89	3	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196 acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.	2.89	3	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).	2.89	3	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780 AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source	2.89	3	0
khs101 KHS101: a small molecule accelerates neuronal differentiation in the adult rat	2.89	3	0
cb-839 [no description available]	2.89	3	0
gsk-j4 GSK-J4: a JMJD3 inhibitor; structure in first source	2.89	3	0	organonitrogen heterocyclic compound
pf-06424439 PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source	2.89	3	0
etp-46464 ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source	2.89	3	0
onc201 TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source	2.89	3	0
kai407 KAI407: an antimalarial; structure in first source	2.89	3	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source	2.89	3	0
enasidenib [no description available]	2.89	3	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429 OICR-9429: antineoplastic; structure in first source	2.89	3	0
lly-507 LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes.	2.89	3	0
at 9283 [no description available]	2.89	3	0
hypoxanthine [no description available]	2.89	3	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	2.6	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.89	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
1-hydroxyphenazine 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.	2.89	3	0	phenazines
ro 24-7429 Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9	2.89	3	0	benzodiazepine
nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.	3.07	4	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.89	3	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.	2.89	3	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
rvx 208 apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation	2.89	3	0
bmn 673 talazoparib: inhibits both PARP1 and PARP2; structure in first source	2.89	3	0
phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.	2	1	0

Condition	Indicated	Relationship Strength	Studies	Trials
Adenocarcinoma, Basal Cell [description not available]	0	6.68	9	7
Cancer of Colon [description not available]	0	2.67	3	0
Leukemia L 1210 [description not available]	0	2.67	3	0
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	0	3.24	6	0
Malignant Melanoma [description not available]	0	2.96	4	0
Benign Neoplasms [description not available]	0	6.84	9	3
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	0	6.68	9	7
Colonic Neoplasms Tumors or cancer of the COLON.	0	2.67	3	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	0	2.96	4	0
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	0	6.84	9	3
Cardiac Diseases [description not available]	0	1.98	1	0
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	0	1.98	1	0
B16 Melanoma [description not available]	0	1.98	1	0
Cancer of Ovary [description not available]	0	4.62	3	2
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	0	4.62	3	2
Carcinoma, Anaplastic [description not available]	0	5.21	4	3
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	0	5.21	4	3
Cancer of Lung [description not available]	0	6.01	10	3
Lung Neoplasms Tumors or cancer of the LUNG.	0	6.01	10	3
Metastase [description not available]	0	6.73	8	3
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	0	6.73	8	3
Experimental Neoplasms [description not available]	0	2.99	4	0
Congenital Zika Syndrome [description not available]	0	2.25	1	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	2.81	3	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	2.25	1	0
Hepatocellular Carcinoma [description not available]	0	2.54	2	0
Cancer of Liver [description not available]	0	2.82	3	0
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	0	2.54	2	0
Liver Neoplasms Tumors or cancer of the LIVER.	0	2.82	3	0
Glial Cell Tumors [description not available]	0	3.84	2	1
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	0	8.84	2	1
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	0	2.6	1	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	0	2.6	1	0
Breast Cancer [description not available]	0	7.19	8	5
Breast Neoplasms Tumors or cancer of the human BREAST.	1	9.19	8	5
Acute Myelogenous Leukemia [description not available]	0	13.33	10	3
Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.	1	10.33	10	3
Cytomegalovirus A genus of the family HERPESVIRIDAE, subfamily BETAHERPESVIRINAE, infecting the salivary glands, liver, spleen, lungs, eyes, and other organs, in which they produce characteristically enlarged cells with intranuclear inclusions. Infection with Cytomegalovirus is also seen as an opportunistic infection in AIDS.	0	2.11	1	0
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	0	2.47	2	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	2.05	1	0
Acute Promyelocytic Leukemia [description not available]	0	2.05	1	0
Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.	0	2.05	1	0
African Lymphoma [description not available]	0	2.06	1	0
Burkitt Lymphoma A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative.	0	2.06	1	0
Experimental Hepatoma [description not available]	0	2.45	2	0
Cancer of Stomach [description not available]	0	3.8	2	1
Stomach Neoplasms Tumors or cancer of the STOMACH.	0	3.8	2	1
Dysmyelopoietic Syndromes [description not available]	0	2.06	1	0
Myelodysplastic Syndromes Clonal hematopoietic stem cell disorders characterized by dysplasia in one or more hematopoietic cell lineages. They predominantly affect patients over 60, are considered preleukemic conditions, and have high probability of transformation into ACUTE MYELOID LEUKEMIA.	0	2.06	1	0
EHS Tumor [description not available]	0	2.03	1	0
Invasiveness, Neoplasm [description not available]	0	2.04	1	0
Recrudescence [description not available]	0	4.97	3	3
Anaplastic Astrocytoma [description not available]	0	3.37	1	1
Benign Neoplasms, Brain [description not available]	0	3.37	1	1
Nervous System Disorders [description not available]	0	3.37	1	1
Anaplastic Oligodendroglioma [description not available]	0	3.37	1	1
Astrocytoma Neoplasms of the brain and spinal cord derived from glial cells which vary from histologically benign forms to highly anaplastic and malignant tumors. Fibrillary astrocytomas are the most common type and may be classified in order of increasing malignancy (grades I through IV). In the first two decades of life, astrocytomas tend to originate in the cerebellar hemispheres; in adults, they most frequently arise in the cerebrum and frequently undergo malignant transformation. (From Devita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2013-7; Holland et al., Cancer Medicine, 3d ed, p1082)	0	3.37	1	1
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	0	3.37	1	1
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	0	3.37	1	1
Oligodendroglioma A relatively slow-growing glioma that is derived from oligodendrocytes and tends to occur in the cerebral hemispheres, thalamus, or lateral ventricle. They may present at any age, but are most frequent in the third to fifth decades, with an earlier incidence peak in the first decade. Histologically, these tumors are encapsulated, relatively avascular, and tend to form cysts and microcalcifications. Neoplastic cells tend to have small round nuclei surrounded by unstained nuclei. The tumors may vary from well-differentiated to highly anaplastic forms. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2052; Adams et al., Principles of Neurology, 6th ed, p655)	0	3.37	1	1
Leukocytopenia [description not available]	0	6.14	7	5
Diffuse Mixed Small and Large Cell Lymphoma [description not available]	0	3.37	1	1
Leukopenia A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).	0	6.14	7	5
Lymphoma, Non-Hodgkin Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.	0	3.37	1	1
Blood Diseases [description not available]	0	4.33	2	2
Hematologic Diseases Disorders of the blood and blood forming tissues.	0	4.33	2	2
Cancer of Prostate [description not available]	0	4.33	2	2
Hormone-Dependent Neoplasms [description not available]	0	3.37	1	1
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	0	4.33	2	2
Sarcoma, Epithelioid [description not available]	0	4.33	2	2
Emesis [description not available]	0	4.33	2	2
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	0	4.97	3	3
Sarcoma A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.	0	4.33	2	2
Soft Tissue Neoplasms Neoplasms of whatever cell type or origin, occurring in the extraskeletal connective tissue framework of the body including the organs of locomotion and their various component structures, such as nerves, blood vessels, lymphatics, etc.	0	3.37	1	1
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	0	4.33	2	2
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	0	3.37	1	1
Carcinoma, Epidermoid [description not available]	0	5.85	5	5
Cancer of Cervix [description not available]	0	4.98	3	3
Cancer of Pelvis [description not available]	0	3.37	1	1
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	0	5.85	5	5
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	0	4.98	3	3
Colorectal Cancer [description not available]	0	5.2	4	3
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	0	5.2	4	3
Agranulocytosis A decrease in the number of GRANULOCYTES; (BASOPHILS; EOSINOPHILS; and NEUTROPHILS).	0	3.37	1	1
Cancer of Endometrium [description not available]	0	4.34	2	2
Local Neoplasm Recurrence [description not available]	0	4.97	3	3
Endometrial Neoplasms Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells.	0	4.34	2	2
Cancer of Esophagus [description not available]	0	3.37	1	1
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	0	3.37	1	1
Carcinoma, Non-Small Cell Lung [description not available]	0	5.2	4	3
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	0	5.2	4	3
Germinoblastoma [description not available]	0	3.37	1	1
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	0	3.37	1	1
Cancer of Head [description not available]	0	4.34	2	2
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	0	4.34	2	2
Bone Cancer [description not available]	0	2.9	1	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	0	2.9	1	0
Adenocarcinoma Of Kidney [description not available]	0	4.33	2	2
Cancer of Kidney [description not available]	0	4.33	2	2
Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.	0	4.33	2	2
Kidney Neoplasms Tumors or cancers of the KIDNEY.	0	4.33	2	2
Leiomyosarcoma, Epithelioid [description not available]	0	3.38	1	1
Cancer of the Uterus [description not available]	0	4.34	2	2
Leiomyosarcoma A sarcoma containing large spindle cells of smooth muscle. Although it rarely occurs in soft tissue, it is common in the viscera. It is the most common soft tissue sarcoma of the gastrointestinal tract and uterus. The median age of patients is 60 years. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p1865)	0	8.38	1	1
Uterine Neoplasms Tumors or cancer of the UTERUS.	0	4.34	2	2
Thrombopenia [description not available]	0	4.33	2	2
Mixed Tumor, Mesodermal A sarcoma of the body of the uterus arising in older women, composed of more than one mesenchymal tissue, especially including striated muscle cells. It is associated with previous pelvic radiation exposure in 20% of patients. (Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1702)	0	3.38	1	1
Thrombocytopenia A subnormal level of BLOOD PLATELETS.	0	4.33	2	2
Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age.	0	3.37	1	1
Central Nervous System Neoplasm [description not available]	0	3.39	1	1
Central Nervous System Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.	0	3.39	1	1
Kahler Disease [description not available]	0	3.36	1	1
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	0	8.36	1	1
Cancer of Pancreas [description not available]	0	3.36	1	1
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	0	3.36	1	1
Cardiomyopathies, Primary [description not available]	0	3.36	1	1
Cardiomyopathies A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).	0	3.36	1	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	0	1.97	1	0
Acute Lymphoid Leukemia [description not available]	0	3.36	1	1
Leucocythaemia [description not available]	0	3.36	1	1
Acute Disease Disease having a short and relatively severe course.	0	3.36	1	1
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	0	8.36	1	1
Precursor Cell Lymphoblastic Leukemia-Lymphoma A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.	0	3.36	1	1
Carcinoma, Oat Cell [description not available]	0	1.97	1	0
Carcinoma, Small Cell An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7)	0	1.97	1	0
Abnormalities, Autosome [description not available]	0	1.97	1	0

amonafide

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Synonyms (84)

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Overview

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Compound-Compound Interactions

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Dosage Studied

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Protein Targets (7)

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Molecular Functions (25)

Ceullar Components (16)

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Studies (169)

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Research Demand Index: 25.39

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Trial Overview

amonafide

Description

Cross-References

Synonyms (84)

Research Excerpts

Overview

Effects

Actions

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Drug Classes (1)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (57)

Molecular Functions (25)

Ceullar Components (16)

Bioassays (407)

Research

Studies (169)

Market Indicators

Research Demand Index: 25.39

Study Types

Clinical Trials (5)

Trial Overview

Related Drugs (457)

Related Conditions (126)