fendiline profile

Fendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	3336
CHEMBL ID	254832
CHEBI ID	94434
SCHEMBL ID	63814
MeSH ID	M0008325

Synonym
BRD-A71033472-003-05-6
KBIO1_000604
DIVK1C_000604
SPECTRUM_000443
PRESTWICK2_000270
einecs 235-915-6
fendilin
benzenepropanamine, gamma-phenyl-n-(1-phenylethyl)-
fendilinum [inn-latin]
fendilina [inn-spanish]
fendiline
benzenepropanamine, .gamma.-phenyl-n-(1-phenylethyl)-
QTL1_000037
BSPBIO_003172
IDI1_000604
D07185
fendiline (inn)
13042-18-7
BPBIO1_000132
SPECTRUM5_001302
AB00053592
PRESTWICK3_000270
BSPBIO_000120
KBIO2_000923
KBIO2_003491
KBIO2_006059
KBIO3_002392
KBIOGR_000714
KBIOSS_000923
SPECTRUM4_000417
SPECTRUM3_001436
SPBIO_002339
PRESTWICK0_000270
SPBIO_001131 ,
PRESTWICK1_000270
SPECTRUM2_001006
NINDS_000604
CHEMBL254832 ,
3,3-diphenyl-n-(1-phenylethyl)propan-1-amine
NCGC00018223-02
unii-s253d559a8
fendilina
fendilinum
s253d559a8 ,
fendiline [inn]
fendiline [mi]
n-(3,3-diphenylpropyl)-.alpha.-methylbenzylamine
fendiline [who-dd]
SCHEMBL63814
AKOS022180841
NCGC00018223-06
DTXSID5048473
NMKSAYKQLCHXDK-UHFFFAOYSA-N
benzylamine, n-(3,3-diphenylpropyl)-.alpha.-methyl-
n-(3,3-diphenylpropyl)-1-phenylethylamine
3,3-diphenyl-n-(1-phenylethyl)-1-propanamine #
n-(1-phenylethyl)-3,3-diphenylpropylamine
phendilin
3,3-diphenyl-n-(1-phenylethyl)-1-propanamine;hydrochloride
cid_5702162
bdbm61401
3,3-diphenylpropyl(1-phenylethyl)amine;hydrochloride
AB00053592_14
DB08980
3,3-diphenyl-n-(1-phenylethyl)-1-propanamine
CHEBI:94434
SBI-0051635.P002
FT-0736508
phendilin; dl-fendiline
Q999767
BRD-A71033472-003-15-5

Excerpt	Reference
"Fendiline is a GABAB receptor-positive allosteric modulator and L-type Ca²⁺ channel blocker that is safe for human use. "	( Napier, TC; Riddle, JL; Voigt, RM, 2014)
"Fendiline is an anti-anginal agent for the treatment of coronary heart disease. "	( Bayer, R; Mannhold, R, 1987)

Excerpt	Reference
"As fendiline has been approved for treatment of patients with angina, we hypothesized that, if proven effective, combinatorial therapies using this agent would be easily translatable to clinic for testing in PDAC patients."	( Alhothali, M; Chellappan, S; Iyer, G; Lawrence, HR; Mathew, M; Padmanabhan, J; Yang, S, 2019)

Excerpt	Reference
"Fendiline did not produce preference or aversion on its own, nor did it alter motivated motor behavior."	( Napier, TC; Riddle, JL; Voigt, RM, 2014)
"Fendiline did not inhibit K-Ras posttranslational processing but significantly reduced nanoclustering of K-Ras and redistributed K-Ras from the plasma membrane to the endoplasmic reticulum (ER), Golgi apparatus, endosomes, and cytosol."	( Chigurupati, S; Cho, KJ; Hancock, JF; Ma, X; Parton, RG; van der Hoeven, D, 2013)

Class	Description
diarylmethane	Any compound containing two aryl groups connected by a single C atom.
[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	35.4813	0.0030	8.7949	48.0869	AID1347053
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	8.7090	0.0123	7.9835	43.2770	AID1645841
G	Vesicular stomatitis virus	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	0.0871	0.0010	8.3798	61.1304	AID1645840
polyprotein	Zika virus	Potency	35.4813	0.0030	8.7949	48.0869	AID1347053
Interferon beta	Homo sapiens (human)	Potency	18.6866	0.0033	9.1582	39.8107	AID1347407; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
[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)
Transcriptional activator protein LuxR	Aliivibrio fischeri	IC50 (µMol)	91.0000	1.3600	3.2533	7.0000	AID493958
Sphingomyelin phosphodiesterase	Homo sapiens (human)	IC50 (µMol)	5.6000	5.0000	5.3000	5.6000	AID1758704
5-hydroxytryptamine receptor 2B	Homo sapiens (human)	Ki	3.2170	0.0003	0.7693	10.0000	AID537763
[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)
Extracellular calcium-sensing receptor	Homo sapiens (human)	EC50 (µMol)	1.0000	0.0200	0.2334	1.0000	AID738057
Calmodulin	Bos taurus (cattle)	Kd	2.9000	1.8000	2.9333	3.5000	AID1297606
[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)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
symbiont entry into host cell	Sphingomyelin phosphodiesterase	Homo sapiens (human)
symbiont entry into host cell	Sphingomyelin phosphodiesterase	Homo sapiens (human)
plasma membrane repair	Sphingomyelin phosphodiesterase	Homo sapiens (human)
sphingomyelin metabolic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
sphingomyelin catabolic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
signal transduction	Sphingomyelin phosphodiesterase	Homo sapiens (human)
nervous system development	Sphingomyelin phosphodiesterase	Homo sapiens (human)
cholesterol metabolic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to xenobiotic stimulus	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to virus	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to ionizing radiation	Sphingomyelin phosphodiesterase	Homo sapiens (human)
termination of signal transduction	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to type I interferon	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to tumor necrosis factor	Sphingomyelin phosphodiesterase	Homo sapiens (human)
cellular response to UV	Sphingomyelin phosphodiesterase	Homo sapiens (human)
positive regulation of protein dephosphorylation	Sphingomyelin phosphodiesterase	Homo sapiens (human)
wound healing	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to cocaine	Sphingomyelin phosphodiesterase	Homo sapiens (human)
positive regulation of apoptotic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
negative regulation of MAP kinase activity	Sphingomyelin phosphodiesterase	Homo sapiens (human)
positive regulation of endocytosis	Sphingomyelin phosphodiesterase	Homo sapiens (human)
glycosphingolipid catabolic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
ceramide biosynthetic process	Sphingomyelin phosphodiesterase	Homo sapiens (human)
positive regulation of viral entry into host cell	Sphingomyelin phosphodiesterase	Homo sapiens (human)
symbiont entry into host cell	Sphingomyelin phosphodiesterase	Homo sapiens (human)
response to interleukin-1	Sphingomyelin phosphodiesterase	Homo sapiens (human)
cellular response to calcium ion	Sphingomyelin phosphodiesterase	Homo sapiens (human)
ossification	Extracellular calcium-sensing receptor	Homo sapiens (human)
response to ischemia	Extracellular calcium-sensing receptor	Homo sapiens (human)
detection of calcium ion	Extracellular calcium-sensing receptor	Homo sapiens (human)
intracellular calcium ion homeostasis	Extracellular calcium-sensing receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Extracellular calcium-sensing receptor	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Extracellular calcium-sensing receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Extracellular calcium-sensing receptor	Homo sapiens (human)
JNK cascade	Extracellular calcium-sensing receptor	Homo sapiens (human)
chemosensory behavior	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of cell population proliferation	Extracellular calcium-sensing receptor	Homo sapiens (human)
anatomical structure morphogenesis	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of gene expression	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of insulin secretion	Extracellular calcium-sensing receptor	Homo sapiens (human)
bile acid secretion	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to hepatocyte growth factor stimulus	Extracellular calcium-sensing receptor	Homo sapiens (human)
vasodilation	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of vasoconstriction	Extracellular calcium-sensing receptor	Homo sapiens (human)
branching morphogenesis of an epithelial tube	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of positive chemotaxis	Extracellular calcium-sensing receptor	Homo sapiens (human)
fat pad development	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Extracellular calcium-sensing receptor	Homo sapiens (human)
calcium ion import	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to vitamin D	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to glucose stimulus	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to low-density lipoprotein particle stimulus	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to hypoxia	Extracellular calcium-sensing receptor	Homo sapiens (human)
response to fibroblast growth factor	Extracellular calcium-sensing receptor	Homo sapiens (human)
positive regulation of calcium ion import	Extracellular calcium-sensing receptor	Homo sapiens (human)
cellular response to peptide	Extracellular calcium-sensing receptor	Homo sapiens (human)
chloride transmembrane transport	Extracellular calcium-sensing receptor	Homo sapiens (human)
regulation of calcium ion transport	Extracellular calcium-sensing receptor	Homo sapiens (human)
neural crest cell migration	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of cytokine production	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of endothelial cell proliferation	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled receptor internalization	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
heart morphogenesis	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
cardiac muscle hypertrophy	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
intracellular calcium ion homeostasis	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
activation of phospholipase C activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
phospholipase C-activating serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of cell population proliferation	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
response to xenobiotic stimulus	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of phosphatidylinositol biosynthetic process	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
neural crest cell differentiation	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
intestine smooth muscle contraction	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
phosphorylation	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
calcium-mediated signaling	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
cGMP-mediated signaling	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
vasoconstriction	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
negative regulation of apoptotic process	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of MAP kinase activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
phosphatidylinositol 3-kinase/protein kinase B signal transduction	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
embryonic morphogenesis	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
regulation of behavior	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of nitric-oxide synthase activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
release of sequestered calcium ion into cytosol	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of cell division	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
ERK1 and ERK2 cascade	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
protein kinase C signaling	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
cellular response to temperature stimulus	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum	Calmodulin	Bos taurus (cattle)
negative regulation of ryanodine-sensitive calcium-release channel activity	Calmodulin	Bos taurus (cattle)
positive regulation of ryanodine-sensitive calcium-release channel activity	Calmodulin	Bos taurus (cattle)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 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)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
sphingomyelin phosphodiesterase activity	Sphingomyelin phosphodiesterase	Homo sapiens (human)
protein binding	Sphingomyelin phosphodiesterase	Homo sapiens (human)
zinc ion binding	Sphingomyelin phosphodiesterase	Homo sapiens (human)
hydrolase activity, acting on glycosyl bonds	Sphingomyelin phosphodiesterase	Homo sapiens (human)
phosphatidylcholine phospholipase C activity	Sphingomyelin phosphodiesterase	Homo sapiens (human)
acid sphingomyelin phosphodiesterase activity	Sphingomyelin phosphodiesterase	Homo sapiens (human)
phosphatidylinositol phospholipase C activity	Extracellular calcium-sensing receptor	Homo sapiens (human)
G protein-coupled receptor activity	Extracellular calcium-sensing receptor	Homo sapiens (human)
integrin binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
calcium ion binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
protein binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
amino acid binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
protein kinase binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
protein homodimerization activity	Extracellular calcium-sensing receptor	Homo sapiens (human)
transmembrane transporter binding	Extracellular calcium-sensing receptor	Homo sapiens (human)
Gq/11-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G-protein alpha-subunit binding	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
GTPase activator activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
calcium ion binding	Calmodulin	Bos taurus (cattle)
protein binding	Calmodulin	Bos taurus (cattle)
protein domain specific binding	Calmodulin	Bos taurus (cattle)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 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)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	Sphingomyelin phosphodiesterase	Homo sapiens (human)
lysosome	Sphingomyelin phosphodiesterase	Homo sapiens (human)
extracellular space	Sphingomyelin phosphodiesterase	Homo sapiens (human)
lysosome	Sphingomyelin phosphodiesterase	Homo sapiens (human)
endosome	Sphingomyelin phosphodiesterase	Homo sapiens (human)
lipid droplet	Sphingomyelin phosphodiesterase	Homo sapiens (human)
plasma membrane	Sphingomyelin phosphodiesterase	Homo sapiens (human)
endolysosome	Sphingomyelin phosphodiesterase	Homo sapiens (human)
lamellar body	Sphingomyelin phosphodiesterase	Homo sapiens (human)
lysosomal lumen	Sphingomyelin phosphodiesterase	Homo sapiens (human)
extracellular exosome	Sphingomyelin phosphodiesterase	Homo sapiens (human)
plasma membrane	Extracellular calcium-sensing receptor	Homo sapiens (human)
cell surface	Extracellular calcium-sensing receptor	Homo sapiens (human)
basolateral plasma membrane	Extracellular calcium-sensing receptor	Homo sapiens (human)
apical plasma membrane	Extracellular calcium-sensing receptor	Homo sapiens (human)
neuronal cell body	Extracellular calcium-sensing receptor	Homo sapiens (human)
axon terminus	Extracellular calcium-sensing receptor	Homo sapiens (human)
plasma membrane	Extracellular calcium-sensing receptor	Homo sapiens (human)
nucleoplasm	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
cytoplasm	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2B	Homo sapiens (human)
cytosol	Calmodulin	Bos taurus (cattle)
spindle pole	Calmodulin	Bos taurus (cattle)
cytoplasm	Calmodulin	Bos taurus (cattle)
protein-containing complex	Calmodulin	Bos taurus (cattle)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (79)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
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.
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.
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.
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.
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.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID781329	pKa (acid-base dissociation constant) as determined by other workers	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1057863	Cytotoxicity against mouse dividing ScN2a-cl3 cells assessed as cell viability after 5 days by calcein-AM staining-based fluorescence assay	2013	Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24	Antiprion compounds that reduce PrP(Sc) levels in dividing and stationary-phase cells.
AID1758712	Antiproliferative activity against mouse MEF cells expressing KRAS G12D mutant assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758722	Antiproliferative activity against human NCI-H1975 cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID493958	Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity	2010	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 20, Issue:15	LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones.
AID537763	Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting	2010	Journal of medicinal chemistry, Nov-11, Volume: 53, Issue:21	Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs.
AID1057862	Inhibition of RML prion protein infected in mouse dividing ScN2a-cl3 cells expressing full length mouse PrP assessed as reduction of PrPsc level after 5 days by ELISA	2013	Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24	Antiprion compounds that reduce PrP(Sc) levels in dividing and stationary-phase cells.
AID1758725	Antiproliferative activity against human NCI-H23 cells expressing mutant KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1207649	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes	2012	Journal of applied toxicology : JAT, Oct, Volume: 32, Issue:10	Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment.
AID311935	Partition coefficient, log P of the compound	2008	Journal of medicinal chemistry, Jan-24, Volume: 51, Issue:2	Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.
AID1758710	Cytotoxicity against mouse MEF cells expressing BRAF V600E mutant and wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID404304	Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control	2008	Journal of medicinal chemistry, Jun-12, Volume: 51, Issue:11	Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
AID1297603	Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis	2016	European journal of medicinal chemistry, Jun-30, Volume: 116	The chemosensitizing agent lubeluzole binds calmodulin and inhibits Ca(2+)/calmodulin-dependent kinase II.
AID1758739	Inhibition of ASM in dog MDCK cells co-expressing recombinant full length mGFP-tagged KRAS G12V mutant and mCherry-CAAX assessed as reduction in plasma membrane localization of KRAS mutant at 10 uM incubated for 48 hrs followed by incubation with recombin	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758723	Antiproliferative activity against human NCI-H522 cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758734	In vivo inhibition of KRAS signaling in nu/nu mouse xenografted with human MIA PaCa-2 cells harboring KRAS mutation assessed as decrease in ERK phosphorylation in tumor at 1 to 5 mg/kg, ip administered once daily for 5 days with 2 days break by immunohist	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758738	Inhibition of human GFP-tagged ASM expressed in dog MDCK cells using sphingomyelin as substrate at 5 uM incubated for 48 hrs by Amplex Red dye based fluorescence analysis	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758714	Antiproliferative activity against human MIA PaCa-2 cells expressing KRAS mutant assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID311932	Inhibition of ASM in human H4 cells assessed as residual activity at 10 uM	2008	Journal of medicinal chemistry, Jan-24, Volume: 51, Issue:2	Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.
AID1297607	Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+	2016	European journal of medicinal chemistry, Jun-30, Volume: 116	The chemosensitizing agent lubeluzole binds calmodulin and inhibits Ca(2+)/calmodulin-dependent kinase II.
AID1758704	Inhibition of ASM (unknown origin)-mediated KRAS mislocalization from plasma membrane	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID311934	Dissociation constant, pKa of the compound	2008	Journal of medicinal chemistry, Jan-24, Volume: 51, Issue:2	Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.
AID1758718	Antiproliferative activity against human HEC-1-A cells expressing mutant KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID691260	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting	2012	Journal of medicinal chemistry, Jun-28, Volume: 55, Issue:12	Chemocentric informatics approach to drug discovery: identification and experimental validation of selective estrogen receptor modulators as ligands of 5-hydroxytryptamine-6 receptors and as potential cognition enhancers.
AID699539	Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1758719	Antiproliferative activity against human HEC-1B cells expressing mutant KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID493961	Induction of of LuxR-dependent quorum sensing in Vibrio fischeri assessed as induction of bioluminescence intensity up to 200 uM	2010	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 20, Issue:15	LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones.
AID738057	Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay	2013	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 23, Issue:8	New potent calcimimetics: I. Discovery of a series of novel trisubstituted ureas.
AID1758721	Antiproliferative activity against human SK-CO-1 cells expressing mutant KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758724	Antiproliferative activity against human NCI-H1299 cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID699540	Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1758708	Reduction in expression of human GFP-tagged ASM transfected in dog MDCK cells at 5 uM incubated for 48 hrs by western blot analysis	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1057864	Ratio of LC50 for dividing mouse ScN2a-cl3 cells to EC50 for inhibition of RML prion protein	2013	Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24	Antiprion compounds that reduce PrP(Sc) levels in dividing and stationary-phase cells.
AID1758716	Antiproliferative activity against human MPANC96 cells expressing KRAS mutant assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758711	Antiproliferative activity against mouse MEF cells expressing KRAS G12V mutant assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758736	In vivo inhibition of Ca2+ channel in nu/nu mouse xenografted with human MIA PaCa-2 cells harboring KRAS mutation assessed as blood vessel dialation in tumor at 1 to 5 mg/kg, ip administered once daily for 5 days with 2 days break by immunostaining	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758715	Antiproliferative activity against human MOH cells expressing KRAS mutant assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID781330	pKa (acid-base dissociation constant) as determined by potentiometric titration	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1758728	In vivo inhibition of KRAS signaling in Caenorhabditis elegans lin-1 L1 harboring let60 G13D mutant assessed as reduction in multi-vulva phenotype measured after 4 to 5 days culturing in buffer containing Escherichia coli OP50 by DIC/Nomarski microscopic	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758733	In vivo inhibition of ASM in nu/nu mouse xenografted with human MIA PaCa-2 cells harboring KRAS mutation assessed as increase in SM accumulation in tumor at 12.5 mg/kg, ip administered once daily for 5 days with 2 days break by GFP-lysenin staining based	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758713	Antiproliferative activity against human BXPC-3 cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1297599	Association constant, pKa of the compound	2016	European journal of medicinal chemistry, Jun-30, Volume: 116	The chemosensitizing agent lubeluzole binds calmodulin and inhibits Ca(2+)/calmodulin-dependent kinase II.
AID1758717	Antiproliferative activity against human Ishikawa cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1758735	Antitumor activity human MIA PaCa-2 cells harboring KRAS mutation xenografted in nu/nu mouse assessed as induction of apoptosis by measuring increase in cleaved caspase 3 level in tumor at 1 to 5 mg/kg, ip administered once daily for 5 days with 2 days br	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID699541	Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1297606	Binding affinity to bovine brain CaM by FTPFACE analysis	2016	European journal of medicinal chemistry, Jun-30, Volume: 116	The chemosensitizing agent lubeluzole binds calmodulin and inhibits Ca(2+)/calmodulin-dependent kinase II.
AID1758720	Antiproliferative activity against human Caco-2 cells expressing wild type KRAS assessed as reduction in cell growth incubated for 72 hrs by CyQuant proliferation assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Scaffold repurposing of fendiline: Identification of potent KRAS plasma membrane localization inhibitors.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	66 (44.59)	18.7374
1990's	25 (16.89)	18.2507
2000's	23 (15.54)	29.6817
2010's	21 (14.19)	24.3611
2020's	13 (8.78)	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	16 (10.26%)	5.53%
Reviews	11 (7.05%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	129 (82.69%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
quinacrine	[no description available]	medium	2	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
bupropion	[no description available]	medium	4	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
amantadine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
amiodarone	[no description available]	medium	4	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	6	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	4	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
antazoline	[no description available]	medium	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
astemizole	[no description available]	medium	3	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benfluorex	[no description available]	medium	1	0	benzoate ester
bepridil	[no description available]	medium	7	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bromhexine	[no description available]	medium	1	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bromopride	[no description available]	medium	1	0	benzamides
bromperidol	[no description available]	medium	1	0	aromatic ketone
verapamil	[no description available]	medium	37	0	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	medium	37	2	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine	[no description available]	medium	3	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	1	0	benzenes
chloroquine	[no description available]	medium	3	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorpromazine	[no description available]	medium	6	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cisapride	[no description available]	medium	2	0	benzamides
citalopram	[no description available]	medium	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clebopride	[no description available]	medium	1	0	piperidines
clomiphene	[no description available]	medium	2	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clomipramine	[no description available]	medium	4	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cloperastine	[no description available]	medium	1	0	diarylmethane
cyclobenzaprine	[no description available]	medium	2	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
desipramine	[no description available]	medium	5	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
dibucaine	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dicyclomine	[no description available]	medium	1	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
dilazep	[no description available]	medium	1	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
diphenhydramine	[no description available]	medium	3	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diphenylpyraline	[no description available]	medium	1	0	piperidines; tertiary amine	cholinergic antagonist; H1-receptor antagonist
domperidone	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil	[no description available]	medium	2	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxepin	[no description available]	medium	2	0	dibenzooxepine; tertiary amino compound	antidepressant
cycloadiphenine	[no description available]	medium	1	0	benzenes
fipexide	[no description available]	medium	1	0	benzodioxoles
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fluspirilene	[no description available]	medium	4	0	diarylmethane
haloperidol	[no description available]	medium	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hydroxyurea	[no description available]	medium	1	0	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
lidocaine	[no description available]	medium	2	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
imipramine	[no description available]	medium	4	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketotifen	[no description available]	medium	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
lamotrigine	[no description available]	medium	2	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lofepramine	[no description available]	medium	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
loratadine	[no description available]	medium	3	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
maprotiline	[no description available]	medium	4	0	anthracenes
mebeverine	[no description available]	medium	1	0	methoxybenzoic acid
mecamylamine	[no description available]	medium	1	0	primary aliphatic amine
memantine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mirtazapine	[no description available]	medium	2	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
norfluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes
nortriptyline	[no description available]	medium	3	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxidopamine	[no description available]	medium	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
oxybutynin	[no description available]	medium	2	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
oxymetazoline	[no description available]	medium	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
oxyphencyclimine	[no description available]	medium	1	0	monocarboxylic acid
papaverine	[no description available]	medium	2	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
perhexiline	[no description available]	medium	6	0	piperidines	cardiovascular drug
periciazine	[no description available]	medium	2	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
pimethixene	[no description available]	medium	2	0	thioxanthenes
pipamperone	[no description available]	medium	1	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
pridinol	[no description available]	medium	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
prochlorperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promazine	[no description available]	medium	2	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
pyrilamine	[no description available]	medium	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
ritanserin	[no description available]	medium	2	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
terfenadine	[no description available]	medium	6	0	diarylmethane
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thioridazine	[no description available]	medium	5	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
tofisopam	[no description available]	medium	1	0	organic molecular entity
ultram	[no description available]	medium	2	0	aromatic ether; tertiary alcohol; tertiary amino compound
trifluoperazine	[no description available]	medium	10	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trihexyphenidyl	[no description available]	medium	1	0	amine
trimeprazine	[no description available]	medium	2	0	phenothiazines
trimipramine	[no description available]	medium	2	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
xylometazoline	[no description available]	medium	1	0	alkylbenzene
reserpine	[no description available]	medium	3	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
camylofine	[no description available]	medium	1	0	alpha-amino acid ester
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
pimozide	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
selegiline	[no description available]	medium	3	0	selegiline; terminal acetylenic compound	geroprotector
penfluridol	[no description available]	medium	1	0	diarylmethane
paroxetine	[no description available]	medium	3	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
flupirtine	[no description available]	medium	1	0	aminopyridine
mifepristone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
mibefradil	[no description available]	medium	2	0	tetralins	T-type calcium channel blocker
esreboxetine	[no description available]	medium	1	0	aromatic ether
lercanidipine	[no description available]	medium	1	0	diarylmethane
sertraline	[no description available]	medium	4	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
cloricromen	[no description available]	medium	1	0	coumarins
atropine	[no description available]	medium	4	0
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
noscapine	[no description available]	medium	2	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
vinpocetine	[no description available]	medium	2	0	alkaloid	geroprotector
cocaine	[no description available]	medium	3	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlorprothixene	[no description available]	medium	4	0	chlorprothixene
etomidate	[no description available]	medium	1	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
flunarizine	[no description available]	high	4	0	diarylmethane
benztropine	[no description available]	medium	1	0	diarylmethane
cinnarizine	[no description available]	high	4	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
tamoxifen	[no description available]	medium	7	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
harmine	[no description available]	medium	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
triprolidine	[no description available]	medium	2	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
dextromethorphan	[no description available]	medium	3	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
clozapine	[no description available]	medium	4	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
carnitine	[no description available]	medium	3	0	amino-acid betaine	human metabolite; mouse metabolite
hoe 33342	[no description available]	medium	2	0	bibenzimidazole; N-methylpiperazine	fluorochrome
phenytoin	[no description available]	medium	3	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
antipyrine	[no description available]	medium	2	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
benzbromarone	[no description available]	medium	2	0	1-benzofurans; aromatic ketone	uricosuric drug
celecoxib	[no description available]	medium	2	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chlorzoxazone	[no description available]	medium	2	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cimetidine	[no description available]	medium	2	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clotrimazole	[no description available]	medium	3	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
diclofenac	[no description available]	medium	4	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
dipyridamole	[no description available]	medium	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
valproic acid	[no description available]	medium	2	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
felodipine	[no description available]	medium	3	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fexofenadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fluorescite	[no description available]	medium	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
flurbiprofen	[no description available]	medium	2	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutamide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
furosemide	[no description available]	medium	3	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gliclazide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glimepiride	[no description available]	medium	1	0	sulfonamide
glipizide	[no description available]	medium	2	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
hydrochlorothiazide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
ibuprofen	[no description available]	medium	3	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
indomethacin	[no description available]	medium	4	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
isoniazid	[no description available]	medium	2	0	carbohydrazide	antitubercular agent; drug allergen
isradipine	[no description available]	medium	3	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	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
lansoprazole	[no description available]	medium	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
loperamide	[no description available]	medium	3	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metoprolol	[no description available]	medium	4	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
mitoxantrone	[no description available]	medium	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nevirapine	[no description available]	medium	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	4	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nitrendipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nizatidine	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
ofloxacin	[no description available]	medium	3	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
phenacetin	[no description available]	medium	2	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
pramoxine	[no description available]	medium	1	0	aromatic ether; morpholines	local anaesthetic
prazosin	[no description available]	medium	2	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
probenecid	[no description available]	medium	3	0	benzoic acids; sulfonamide	uricosuric drug
propafenone	[no description available]	medium	4	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	medium	6	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
ranitidine	[no description available]	medium	2	0	aralkylamine
sotalol	[no description available]	medium	4	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sulfanitran	[no description available]	medium	1	0	sulfonamide
sulfasalazine	[no description available]	medium	3	0
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
terazosin	[no description available]	medium	1	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
tinidazole	[no description available]	medium	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
trimethoprim	[no description available]	medium	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
prednisolone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
spironolactone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
penicillin g	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
vincristine	[no description available]	medium	2	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
ethinyl estradiol	[no description available]	medium	1	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
colchicine	[no description available]	medium	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
sulfobromophthalein sodium	[no description available]	medium	2	0	organic sodium salt	dye
tryptophan	[no description available]	medium	2	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
taurocholic acid	[no description available]	medium	2	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
rotenone	[no description available]	medium	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
phenformin	[no description available]	medium	2	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
nandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
medroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
erythromycin	[no description available]	medium	3	0	cyclic ketone; erythromycin
dehydroepiandrosterone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
vinblastine	[no description available]	medium	2	0
glycyrrhizic acid	[no description available]	medium	2	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
phenethyl isothiocyanate	[no description available]	medium	2	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
ergocristine	[no description available]	medium	1	0	ergot alkaloid
du-21220	[no description available]	medium	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
timolol	[no description available]	medium	2	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
zidovudine	[no description available]	medium	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
etoposide	[no description available]	medium	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
diltiazem	[no description available]	medium	17	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
diltiazem	[no description available]	medium	17	1	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
1-methyl-4-phenylpyridinium	[no description available]	medium	2	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
captopril	[no description available]	medium	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefadroxil anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug
simvastatin	[no description available]	medium	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	2	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine	[no description available]	medium	3	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
adefovir	[no description available]	medium	1	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
irinotecan	[no description available]	medium	3	0	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
n-methylnicotinamide	[no description available]	medium	2	0	pyridinecarboxamide	metabolite
baicalin	[no description available]	medium	2	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
sanguinarine chloride	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	1	0
4-nitrophenylglucuronide	[no description available]	medium	1	0	beta-D-glucosiduronic acid; C-nitro compound	chromogenic compound
acetaminophen glucuronide	[no description available]	medium	1	0	beta-D-glucosiduronic acid	drug metabolite
nicotine	[no description available]	medium	3	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
lopinavir	[no description available]	medium	2	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
fluo-3	[no description available]	medium	2	0	xanthene dye	fluorochrome
elacridar	[no description available]	medium	2	0
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
methotrexate	[no description available]	medium	2	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
5-carboxyfluorescein diacetate	[no description available]	medium	2	0
disopyramide, (s)-isomer	[no description available]	medium	1	0
naproxen	[no description available]	medium	2	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
erlotinib	[no description available]	medium	2	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
cholic acid	[no description available]	medium	2	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
ritonavir	[no description available]	medium	2	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
naringenin	[no description available]	medium	2	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
taxifolin	[no description available]	medium	1	0	taxifolin	metabolite
taurolithocholic acid	[no description available]	medium	2	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
quinidine	[no description available]	medium	4	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
saquinavir	[no description available]	medium	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
resveratrol	[no description available]	medium	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
diethylstilbestrol	[no description available]	medium	2	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
cefamandole	[no description available]	medium	3	0	cephalosporin; semisynthetic derivative	antibacterial drug
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
digoxin	[no description available]	medium	2	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
fusidic acid	[no description available]	medium	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	2	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
quinine	[no description available]	medium	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
quercetin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
biochanin a	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
genistein	[no description available]	medium	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
pulmicort	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
chrysin	[no description available]	medium	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
morin	[no description available]	medium	2	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
flupenthixol	[no description available]	medium	2	0	flupenthixol	dopaminergic antagonist
l 660,711	[no description available]	medium	2	0	quinolines
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclosporine	[no description available]	medium	3	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
seglitide	[no description available]	medium	1	0
lisinopril	[no description available]	medium	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate	[no description available]	medium	2	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
nitrofurantoin	[no description available]	medium	2	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
ko 143	[no description available]	medium	2	0	beta-carbolines; tert-butyl ester
nystatin a1	[no description available]	medium	2	0	nystatins
amodiaquine hydrochloride	[no description available]	medium	2	0
tetracycline	[no description available]	medium	3	0
piroxicam	[no description available]	medium	2	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	2	0	benzenes; hydroxycoumarin; methyl ketone
tipranavir	[no description available]	medium	2	0	sulfonamide	antiviral drug; HIV protease inhibitor
rifampin	[no description available]	medium	2	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
valacyclovir	[no description available]	medium	2	0	L-valyl ester	antiviral drug
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
raloxifene	[no description available]	medium	2	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
sb 206553	[no description available]	medium	1	0	pyrroloindole
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
6-fluoromelatonin	[no description available]	medium	1	0
adrenoglomerulotropin	[no description available]	medium	1	0
10-hydroxycarbamazepine	[no description available]	medium	1	0	carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen; sodium channel blocker
bp 897	[no description available]	medium	2	0	naphthalenecarboxamide
pnu 96415e	[no description available]	medium	1	0	piperazines
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
zuclopenthixol	[no description available]	medium	1	0	clopenthixol	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
theophylline	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
atenolol	[no description available]	medium	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
berberine	[no description available]	medium	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
buspirone	[no description available]	medium	2	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
caffeine	[no description available]	medium	3	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
candesartan	[no description available]	medium	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
cetirizine	[no description available]	medium	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chelerythrine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
diazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
disopyramide	[no description available]	medium	2	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
doxazosin	[no description available]	medium	1	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
fentanyl	[no description available]	medium	2	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fluconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
furafylline	[no description available]	medium	1	0	oxopurine
gemfibrozil	[no description available]	medium	1	0	aromatic ether	antilipemic drug
itraconazole	[no description available]	medium	1	0	piperazines
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
metformin	[no description available]	medium	1	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
moclobemide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nefazodone	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nifedipine	[no description available]	medium	32	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nifedipine	[no description available]	medium	32	3	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
ondansetron	[no description available]	medium	1	0	carbazoles
pantoprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
phenylbutazone	[no description available]	medium	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
pilsicainide	[no description available]	medium	1	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
pindolol	[no description available]	medium	4	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pindolol	[no description available]	medium	4	1	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pioglitazone	[no description available]	medium	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
procainamide	[no description available]	medium	2	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
tetraethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
thiotepa	[no description available]	medium	1	0	aziridines
ticlopidine	[no description available]	medium	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
triazolam	[no description available]	medium	1	0	triazolobenzodiazepine	sedative
thyroxine	[no description available]	medium	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
1-methylpyridinium	[no description available]	medium	1	0	methylpyridines
paclitaxel	[no description available]	medium	1	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
lovastatin	[no description available]	medium	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
ranolazine	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
atorvastatin	[no description available]	medium	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
valsartan	[no description available]	medium	1	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
emtricitabine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
efavirenz	[no description available]	medium	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
repaglinide	[no description available]	medium	1	0	piperidines
telmisartan	[no description available]	medium	1	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
uk 68798	[no description available]	medium	2	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
bufuralol	[no description available]	medium	1	0	benzofurans
ubenimex	[no description available]	medium	1	0
eletriptan	[no description available]	medium	1	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone	[no description available]	medium	1	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ezetimibe	[no description available]	medium	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
varenicline	[no description available]	medium	1	0
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
ouabain	[no description available]	medium	1	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
cerivastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
nootkatone	[no description available]	medium	1	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
sodium taurodeoxycholate	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite
glycylproline	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	metabolite
glycodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
daidzein	[no description available]	medium	2	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	[no description available]	medium	1	0	homodetic cyclic peptide
estradiol-17 beta-glucuronide	[no description available]	medium	1	0	3-hydroxy steroid; steroid glucosiduronic acid
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
fluvoxamine	[no description available]	medium	2	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
enalapril	[no description available]	medium	2	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
verlukast	[no description available]	medium	1	0
sincalide	[no description available]	medium	1	0	oligopeptide
novobiocin	[no description available]	medium	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
acyclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
allopurinol	[no description available]	medium	3	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
gallopamil	[no description available]	medium	6	0	benzenes; organic amino compound
azelastine	[no description available]	medium	2	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
bunazosin	[no description available]	medium	1	0	quinazolines
cifenline	[no description available]	medium	1	0	diarylmethane
e 4031	[no description available]	medium	1	0	sulfonamide
vanoxerine	[no description available]	medium	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
halothane	[no description available]	medium	2	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
heptaminol	[no description available]	medium	1	0	tertiary alcohol
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
nimodipine	[no description available]	medium	2	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
risperidone	[no description available]	medium	2	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
troglitazone	[no description available]	medium	1	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
dibenzepin	[no description available]	medium	2	0	dibenzodiazepine
prenylamine	[no description available]	high	13	1	diarylmethane
prenylamine	[no description available]	high	13	0	diarylmethane
paeonol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
pinaverium	[no description available]	medium	1	0	monoterpenoid
iganidipine	[no description available]	medium	1	0
sr 33557	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	2	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
clevidipine	[no description available]	medium	1	0	dihydropyridine
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
mepirodipine	[no description available]	medium	1	0	dihydropyridine
tolterodine	[no description available]	medium	2	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
arachidonic acid	[no description available]	medium	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
cilnidipine	[no description available]	medium	1	0	2-methoxyethyl ester; C-nitro compound; dihydropyridine	antihypertensive agent; calcium channel blocker; cardiovascular drug
ajmaline	[no description available]	medium	1	0
cinacalcet	[no description available]	medium	2	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
nps-568	[no description available]	medium	1	0
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
congo red	[no description available]	medium	1	0	bis(azo) compound
ethoxazene	[no description available]	medium	1	0	azobenzenes
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
N-(4-ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide	[no description available]	medium	1	0	naphthalenecarboxamide
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
quinoprazine	[no description available]	medium	1	0
gamma-aminobutyric acid	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetic acid	[no description available]	medium	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
beta-alanine	[no description available]	medium	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
benzoic acid	[no description available]	medium	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
formic acid	[no description available]	medium	1	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
salicylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid	[no description available]	medium	1	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
glycine	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
histamine	[no description available]	medium	1	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
niacin	[no description available]	medium	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
propionic acid	[no description available]	medium	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridoxamine	[no description available]	medium	1	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
trimethylamine	[no description available]	medium	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
tryptophan	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
2,4-dichlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
tacrine	[no description available]	medium	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
alprenolol	[no description available]	medium	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aspirin	[no description available]	medium	1	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
betaxolol	[no description available]	medium	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbidopa	[no description available]	medium	1	0	benzenes; monocarboxylic acid
celiprolol	[no description available]	medium	1	0	aromatic ketone
chlorpheniramine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofloxacin	[no description available]	medium	1	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
diflunisal	[no description available]	medium	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
ethacrynic acid	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumequine	[no description available]	medium	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
mephentermine	[no description available]	medium	1	0	amphetamines
isoproterenol	[no description available]	medium	3	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
ketorolac	[no description available]	medium	1	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lomefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
mefenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methoxyphenamine	[no description available]	medium	1	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
mexiletine	[no description available]	medium	1	0	aromatic ether; primary amino compound	anti-arrhythmia drug
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
oxprenolol	[no description available]	medium	2	0	aromatic ether
oxprenolol	[no description available]	medium	2	1	aromatic ether
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
primaquine	[no description available]	medium	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
procaine	[no description available]	medium	1	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
sumatriptan	[no description available]	medium	1	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
gatifloxacin	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terbutaline	[no description available]	medium	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tolmetin	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
tyrosine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
leucine	[no description available]	medium	1	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phenylalanine	[no description available]	medium	1	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
ampicillin	[no description available]	medium	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
penicillin v	[no description available]	medium	1	0	penicillin allergen; penicillin
phenylpiperazine	[no description available]	medium	1	0
2-naphthoic acid	[no description available]	medium	1	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
mecoprop	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
deanol	[no description available]	medium	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
4-methylmorpholine	[no description available]	medium	1	0
n-butylamine	[no description available]	medium	1	0	primary aliphatic amine
piperidine	[no description available]	medium	1	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
morpholine	[no description available]	medium	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
hexahydroazepine	[no description available]	medium	1	0	azacycloalkane; azepanes; saturated organic heteromonocyclic parent
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
n-methylpyrrolidine	[no description available]	medium	1	0
triethylamine	[no description available]	medium	2	0	tertiary amine
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
chloroprocaine	[no description available]	medium	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
aziridine	[no description available]	medium	1	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
ephedrine	[no description available]	medium	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
galantamine	[no description available]	medium	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
trifluoroethylamine	[no description available]	medium	1	0
2-fluoroethylamine	[no description available]	medium	1	0
dextropropoxyphene	[no description available]	medium	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
arecaidine	[no description available]	medium	1	0	citraconoyl group
azetidine	[no description available]	medium	1	0	azacycloalkane; azetidines; saturated organic heteromonocyclic parent
gluconic acid	[no description available]	medium	1	0	gluconic acid	chelator; Penicillium metabolite
methamphetamine	[no description available]	medium	2	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
aminopenicillanic acid	[no description available]	medium	1	0	amino acid zwitterion; penicillanic acids	allergen
glycyl-glycyl-glycine	[no description available]	medium	1	0	tripeptide zwitterion; tripeptide
n,n-dimethylethylamine	[no description available]	medium	1	0
diethylmethylamine	[no description available]	medium	1	0
glycine ethyl ester	[no description available]	medium	1	0
n-methylpiperidine	[no description available]	medium	1	0
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
tempidon	[no description available]	medium	1	0	piperidones
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
clopyralid	[no description available]	medium	1	0	organochlorine pesticide; pyridines	herbicide
dimethylaminopropionitrile	[no description available]	medium	1	0
5-phenylvaleric acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
cephalexin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
pyrrolidine	[no description available]	medium	1	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
metipranolol	[no description available]	medium	1	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
propamocarb	[no description available]	medium	1	0	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
amoxicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
phenyl-2-aminoethyl sulfide	[no description available]	medium	1	0
tolamolol	[no description available]	medium	1	0
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
sq-11725	[no description available]	medium	1	0
sufentanil	[no description available]	medium	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
Flamprop	[no description available]	medium	1	0	benzamides
remoxipride	[no description available]	medium	1	0	dimethoxybenzene
d-lactic acid	[no description available]	medium	1	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
trovafloxacin	[no description available]	medium	1	0
thiamorpholine	[no description available]	medium	1	0	saturated organic heteromonocyclic parent; thiomorpholines
glycyl-glycyl-glycyl-glycine	[no description available]	medium	1	0
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
carazolol	[no description available]	medium	1	0	carbazoles
methotrimeprazine	[no description available]	medium	1	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
oleandomycin	[no description available]	medium	1	0	oleandomycins
phenylalanyl-phenylalanyl-phenylalanine	[no description available]	medium	1	0	oligopeptide
3-(4-methoxybenzoyl)propionic acid	[no description available]	medium	1	0
dimethylaminopropanol	[no description available]	medium	1	0
rivastigmine	[no description available]	medium	1	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
4-phenylbutylamine	[no description available]	medium	1	0	benzenes; phenylalkylamine; primary amino compound
glycinexylidide	[no description available]	medium	1	0	amino acid amide	drug metabolite
Trp-Trp	[no description available]	medium	1	0	dipeptide	Mycoplasma genitalium metabolite
kampirone	[no description available]	medium	1	0	N-arylpiperazine
isopelletierine	[no description available]	medium	1	0	citraconoyl group
fenpropimorph	[no description available]	medium	1	0	alkylbenzene
1-(2-pyridinyl)piperazine	[no description available]	medium	1	0
l-lactic acid	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
ibuprofen, (r)-isomer	[no description available]	medium	1	0	ibuprofen
deramciclane	[no description available]	medium	1	0
aspartame	[no description available]	medium	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
levofloxacin	[no description available]	medium	1	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
norpseudoephedrine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
e-z cinnamic acid	[no description available]	medium	1	0	cinnamic acid	plant metabolite
sorbic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
doxepin hydrochloride	[no description available]	medium	1	0
terbinafine	[no description available]	medium	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
4-methylumbelliferyl glucoside	[no description available]	medium	1	0	beta-D-glucoside; coumarins; monosaccharide derivative	chromogenic compound
dinoprostone	[no description available]	medium	1	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
tylosin	[no description available]	medium	1	0	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic
alprostadil	[no description available]	medium	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
dihydrocodeine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	2	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
morphine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
codeine phosphate	[no description available]	medium	1	0
dihydromorphine	[no description available]	medium	1	0	morphinane alkaloid
morphine-6-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
butorphanol	[no description available]	medium	1	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
heroin	[no description available]	medium	1	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
enalaprilat anhydrous	[no description available]	medium	1	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
normorphine	[no description available]	medium	1	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
1,2-dielaidoylphosphatidylethanolamine	[no description available]	medium	1	0
rosaramicin	[no description available]	medium	1	0	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
phenylalanylphenylalanine	[no description available]	medium	1	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
norcodeine	[no description available]	medium	1	0	morphinane alkaloid
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride	[no description available]	medium	1	0
decanoylcarnitine	[no description available]	medium	1	0	decanoate ester; O-acylcarnitine	human urinary metabolite
chlortetracycline	[no description available]	medium	1	0
olanzapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
norclozapine	[no description available]	medium	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
w 7	[no description available]	medium	2	0
lubeluzole	[no description available]	medium	1	0	benzothiazoles
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
glycolipids	[no description available]	medium	1	0
salifungin	[no description available]	medium	1	0	benzamides
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
vortioxetine	[no description available]	medium	1	0	aryl sulfide; N-arylpiperazine	antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist
acetazolamide	[no description available]	medium	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
deoxycytidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
gemcitabine	[no description available]	medium	1	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
arq 197	[no description available]	medium	1	0	indoles
18-crown-6 2,3,11,12-tetracarboxylic acid	[no description available]	medium	1	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
trifluoroacetic acid	[no description available]	medium	1	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
cardiovascular agents	[no description available]	medium	1	0
baclofen	[no description available]	medium	3	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	1	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
fura-2	[no description available]	medium	4	0
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
thapsigargin	[no description available]	medium	6	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
u 73122	[no description available]	medium	2	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
bromazepam	[no description available]	medium	1	0	organic molecular entity
clonazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
oxfendazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester; sulfoxide	antinematodal drug
pamaquine	[no description available]	medium	1	0	aminoquinoline
flusilazole	[no description available]	medium	1	0	conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
triazoles	[no description available]	medium	1	0	1,2,3-triazole
perhexiline maleate	[no description available]	medium	1	0
nps r-467	[no description available]	medium	1	0
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
propyphenazone	[no description available]	medium	1	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
carbidopa	[no description available]	medium	1	0
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
tocainide	[no description available]	medium	1	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
nitroglycerin	[no description available]	medium	3	2	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
mepindolol	[no description available]	medium	1	1	indoles
lidoflazine	[no description available]	medium	2	0	diarylmethane
terodiline	[no description available]	medium	1	0	diarylmethane
etafenone	[no description available]	medium	1	0	aromatic compound
lactic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
isosorbide dinitrate	[no description available]	medium	1	1	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
nadp	[no description available]	medium	1	0
diphenyliodonium	[no description available]	medium	1	0
calmidazolium	[no description available]	medium	6	0	imidazolium ion	apoptosis inducer; calmodulin antagonist
choline	[no description available]	medium	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
tetrodotoxin	[no description available]	medium	2	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
bay-k-8644	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
lavendustin c6	[no description available]	medium	1	0
manganese	[no description available]	medium	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
bradykinin	[no description available]	medium	2	0	oligopeptide	human blood serum metabolite; vasodilator agent
kn 93	[no description available]	medium	1	0	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
inositol 1,4,5-trisphosphate	[no description available]	medium	3	0	myo-inositol trisphosphate	mouse metabolite
lanthanum	[no description available]	medium	1	0	f-block element atom; lanthanoid atom; scandium group element atom
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	1	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	medium	1	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
nitroarginine	[no description available]	medium	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
linsidomine	[no description available]	medium	1	0	morpholines
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
cetiedil	[no description available]	medium	1	0	azepanes
pyrroles	[no description available]	medium	1	0	pyrrole; secondary amine
cromakalim	[no description available]	medium	1	0
calcimycin	[no description available]	medium	1	0	benzoxazole
n-acetylneuraminic acid	[no description available]	medium	1	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
phosphorus	[no description available]	medium	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
bromochloroacetic acid	[no description available]	medium	1	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
bromide	[no description available]	medium	1	0	halide anion; monoatomic bromine
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
bencyclane	[no description available]	medium	1	0	benzenes
nonachlazine	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	1	0	isomethyleugenol
b 844-39	[no description available]	low	0	0	diarylmethane
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane	[no description available]	low	0	0	diarylmethane
adiphenine	[no description available]	low	0	0	diarylmethane
3-(2'-aminobenzhydryloxy)tropane	[no description available]	low	0	0	diarylmethane
2,2-bis(4-glycidyloxyphenyl)propane	[no description available]	low	0	0	diarylmethane
benproperine	[no description available]	low	0	0	diarylmethane
cogentin	[no description available]	low	0	0	diarylmethane
bifemelane	[no description available]	low	0	0	diarylmethane
bisacodyl	[no description available]	low	0	0	diarylmethane
chlorcyclizine	[no description available]	low	0	0	diarylmethane
clidinium	[no description available]	low	0	0	diarylmethane
clofedanol	[no description available]	low	0	0	diarylmethane; tertiary amino compound	antitussive
clofoctol	[no description available]	low	0	0	diarylmethane
r 59022	[no description available]	low	0	0	diarylmethane
dichlorophen	[no description available]	low	0	0	bridged diphenyl fungicide; diarylmethane
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine	[no description available]	low	0	0	diarylmethane
homochlorocyclizine	[no description available]	low	0	0	diarylmethane
isopropamide iodide	[no description available]	low	0	0	diarylmethane
lomerizine	[no description available]	low	0	0	diarylmethane
manidipine	[no description available]	low	0	0	diarylmethane
meclizine	[no description available]	low	0	0	diarylmethane
mepenzolate	[no description available]	low	0	0	diarylmethane
methadone	[no description available]	low	0	0	benzenes; diarylmethane; ketone; tertiary amino compound
mitotane	[no description available]	low	0	0	diarylmethane
no 711	[no description available]	low	0	0	diarylmethane
oxatomide	[no description available]	low	0	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
pipenzolate	[no description available]	low	0	0	diarylmethane
piperidolate	[no description available]	low	0	0	diarylmethane
proadifen	[no description available]	low	0	0	diarylmethane
propiverine	[no description available]	low	0	0	diarylmethane
aurin	[no description available]	low	0	0	diarylmethane
dpi 201-106	[no description available]	low	0	0	diarylmethane
mepenzolate bromide	[no description available]	low	0	0	diarylmethane
chlorphenoxamine	[no description available]	low	0	0	diarylmethane	anticoronaviral agent
chlorfenethol	[no description available]	low	0	0	diarylmethane
diphenadione	[no description available]	low	0	0	beta-triketone; diarylmethane
phenyltoloxamine	[no description available]	low	0	0	diarylmethane
n,n,n',n'-tetramethyl-4,4'-methylenedianiline	[no description available]	low	0	0	diarylmethane
diphenan	[no description available]	low	0	0	diarylmethane
diphenylmethane	[no description available]	low	0	0	diarylmethane
2,2'-methylenebis(4-methyl-6-tert-butylphenol)	[no description available]	low	0	0	diarylmethane
piperidolate hydrochloride	[no description available]	low	0	0	diarylmethane
benactyzine	[no description available]	low	0	0	diarylmethane
isomethadone	[no description available]	low	0	0	diarylmethane
pipradrol	[no description available]	low	0	0	diarylmethane
normethadone	[no description available]	low	0	0	diarylmethane
captodiamine	[no description available]	low	0	0	diarylmethane
methadyl acetate	[no description available]	low	0	0	diarylmethane
benzomethamine	[no description available]	low	0	0	diarylmethane
chlorobenzilate	[no description available]	low	0	0	diarylmethane
dimenhydrinate	[no description available]	low	0	0	diarylmethane
poldine	[no description available]	low	0	0	diarylmethane
thiphenamil	[no description available]	low	0	0	diarylmethane
4-cumylphenol	[no description available]	low	0	0	diarylmethane
4,4'-bisphenol f	[no description available]	low	0	0	bisphenol; diarylmethane	environmental food contaminant; xenoestrogen
o,p'-ddt	[no description available]	low	0	0	diarylmethane
4,4'-methylene bis(2-methylaniline)	[no description available]	low	0	0	diarylmethane
dipipanone	[no description available]	low	0	0	diarylmethane
diphenamid	[no description available]	low	0	0	diarylmethane
paracymethadol	[no description available]	low	0	0	diarylmethane
bisphenol a-glycidyl methacrylate	[no description available]	low	0	0	diarylmethane
azacyclonol	[no description available]	low	0	0	diarylmethane
dimenoxadol	[no description available]	low	0	0	diarylmethane
amphenone b	[no description available]	low	0	0	diarylmethane
propinox	[no description available]	low	0	0	diarylmethane
embramine	[no description available]	low	0	0	diarylmethane
chlorophacinone	[no description available]	low	0	0	beta-triketone; diarylmethane
aminopentamide	[no description available]	low	0	0	diarylmethane
octocrylene	[no description available]	low	0	0	diarylmethane
tofenacin	[no description available]	low	0	0	diarylmethane
pipoxolan	[no description available]	low	0	0	diarylmethane
emepronium	[no description available]	low	0	0	diarylmethane
levomethadyl acetate hydrochloride	[no description available]	low	0	0	diarylmethane
flumecinol	[no description available]	low	0	0	diarylmethane
setastine	[no description available]	low	0	0	diarylmethane
progabide	[no description available]	low	0	0	diarylmethane
beclobrate	[no description available]	low	0	0	diarylmethane
cetirizine dihydrochloride	[no description available]	low	0	0	diarylmethane
niguldipine	[no description available]	low	0	0	diarylmethane
terfenadine	[no description available]	low	0	0	diarylmethane
mandrax	[no description available]	low	0	0	diarylmethane
droprenylamine	[no description available]	low	0	0	diarylmethane
quifenadine	[no description available]	low	0	0	diarylmethane
carebastine	[no description available]	low	0	0	diarylmethane
diphenidol hydrochloride	[no description available]	low	0	0	diarylmethane
dioxadrol	[no description available]	low	0	0	diarylmethane
budipine	[no description available]	low	0	0	diarylmethane
epicainide	[no description available]	low	0	0	diarylmethane
butinoline	[no description available]	low	0	0	diarylmethane
denaverine	[no description available]	low	0	0	diarylmethane
lifarizine	[no description available]	low	0	0	diarylmethane
fenpiverinium	[no description available]	low	0	0	diarylmethane
2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)	[no description available]	low	0	0	diarylmethane
amperozide	[no description available]	low	0	0	diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
2,2'-bisphenol f	[no description available]	low	0	0	diarylmethane
3-hydroxy-2,2-diphenylpropanoic acid	[no description available]	low	0	0	diarylmethane
1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene	[no description available]	low	0	0	diarylmethane
bisphenol f diglycidyl ether	[no description available]	low	0	0	aromatic ether; diarylmethane; epoxide
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	low	0	0	diarylmethane
methylene bis(methylanthranilate)	[no description available]	low	0	0	diarylmethane
tesmilifene	[no description available]	low	0	0	diarylmethane
pd 123177	[no description available]	low	0	0	diarylmethane
bw 373u86	[no description available]	low	0	0	diarylmethane
gilutensin hydrochloride	[no description available]	low	0	0	diarylmethane
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	low	0	0	diarylmethane
ae0047	[no description available]	low	0	0	diarylmethane
lercanidipine hydrochloride	[no description available]	low	0	0	diarylmethane
cloperastine hydrochloride	[no description available]	low	0	0	diarylmethane
1,1,1-trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane	[no description available]	low	0	0	diarylmethane
2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid	[no description available]	low	0	0	diarylmethane
ci 966	[no description available]	low	0	0	diarylmethane
Difeterol	[no description available]	low	0	0	diarylmethane
1,1-bis(4-hydroxyphenyl)cyclohexane	[no description available]	low	0	0	diarylmethane
2,2-(2-chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene	[no description available]	low	0	0	diarylmethane
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide	[no description available]	low	0	0	diarylmethane
propiverine hydrochloride	[no description available]	low	0	0	diarylmethane
gw 3965	[no description available]	low	0	0	diarylmethane
1,1-Bis(4-hydroxyphenyl)ethane	[no description available]	low	0	0	diarylmethane
uk 78282	[no description available]	low	0	0	diarylmethane
r 59949	[no description available]	low	0	0	diarylmethane
4-[1-(4-hydroxyphenyl)ethenyl]phenol	[no description available]	low	0	0	diarylmethane
5-[4-(diphenylmethyl)-1-piperazinyl]-2-(2-methoxyphenyl)-4-oxazolecarbonitrile	[no description available]	low	0	0	diarylmethane
N-[4-[oxo-[(1-oxo-2,2-diphenylethyl)hydrazo]methyl]phenyl]propanamide	[no description available]	low	0	0	diarylmethane
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone	[no description available]	low	0	0	diarylmethane
3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid	[no description available]	low	0	0	diarylmethane
3-bromo-5-[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-pyranone	[no description available]	low	0	0	diarylmethane
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(diphenylmethyl)acetamide	[no description available]	low	0	0	diarylmethane
1,1-bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanol	[no description available]	low	0	0	diarylmethane
levocetirizine	[no description available]	low	0	0	diarylmethane
amn082	[no description available]	low	0	0	benzenes; diamine; diarylmethane; secondary amino compound	metabotropic glutamate receptor agonist; neuroprotective agent
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide	[no description available]	low	0	0	diarylmethane
N-(4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide	[no description available]	low	0	0	diarylmethane
4-oxo-3-[(1-oxo-2,2-diphenylethyl)amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester	[no description available]	low	0	0	diarylmethane
2,2-diphenylacetic acid (2,6-dimethylphenyl) ester	[no description available]	low	0	0	diarylmethane
1-ethyl-3-[(1-oxo-2,2-diphenylethyl)amino]thiourea	[no description available]	low	0	0	diarylmethane
2-(phenylmethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester	[no description available]	low	0	0	diarylmethane
2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid	[no description available]	low	0	0	diarylmethane
N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-(4-morpholinyl)propanamide	[no description available]	low	0	0	diarylmethane
N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide	[no description available]	low	0	0	diarylmethane
4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamide	[no description available]	low	0	0	diarylmethane
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide	[no description available]	low	0	0	diarylmethane
adrafinil	[no description available]	low	0	0	diarylmethane
zamifenacin	[no description available]	low	0	0	diarylmethane
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide	[no description available]	low	0	0	diarylmethane
3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one	[no description available]	low	0	0	diarylmethane
3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane	[no description available]	low	0	0	diarylmethane
flunarizine hydrochloride	[no description available]	low	0	0	diarylmethane
(2-amino-5-chlorophenyl)(phenyl)methanone oxime	[no description available]	low	0	0	diarylmethane
imidafenacin	[no description available]	low	0	0	diarylmethane
2-(3,3-diphenylpropylamino)acetamide	[no description available]	low	0	0	diarylmethane
cgk 733	[no description available]	low	0	0	diarylmethane
dexniguldipine	[no description available]	low	0	0	diarylmethane
lu 208075	[no description available]	low	0	0	diarylmethane
fesoterodine	[no description available]	low	0	0	diarylmethane
3-(diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dione	[no description available]	low	0	0	diarylmethane
pnu 200577	[no description available]	low	0	0	diarylmethane
gc 1 compound	[no description available]	low	0	0	diarylmethane
tas 301	[no description available]	low	0	0	diarylmethane
1,5-anhydro-1-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-1-thioglucitol	[no description available]	low	0	0	diarylmethane
[4-(diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone	[no description available]	low	0	0	diarylmethane
1-(1,4-dioxan-2-yl)-N-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine	[no description available]	low	0	0	diarylmethane
1-[4-(3-chlorophenyl)-1-piperazinyl]-3-(diphenylmethyl)oxy-2-propanol	[no description available]	low	0	0	diarylmethane
(8R)-3-[3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]phenyl]-7-(1-oxo-3,3-diphenylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide	[no description available]	low	0	0	diarylmethane
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone	[no description available]	low	0	0	diarylmethane
2-[[[4-[[(diphenylmethyl)amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester	[no description available]	low	0	0	diarylmethane; tert-butyl ester
pf 04971729	[no description available]	low	0	0	diarylmethane
ML-210	[no description available]	low	0	0	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug

Article	Year
Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods. Journal of molecular graphics & modelling, Volume: 24, Issue: 5	2006
Tolerance and pharmacokinetics of oral fendiline. Arzneimittel-Forschung, Volume: 37, Issue: 1	1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Slow calcium channel blockers and the calcium paradox: comparative studies in the rat with seven drugs. Journal of molecular and cellular cardiology, Volume: 15, Issue: 7	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

fendiline

Description

Cross-References

Synonyms (71)

Research Excerpts

Overview

Effects

Actions

Drug Classes (1)

Protein Targets (14)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (135)

Molecular Functions (38)

Ceullar Components (37)

Bioassays (79)

Research

Studies (148)

Study Types

Research Highlights

Safety/Toxicity (2)

Pharmacokinetics (2)

Bioavailability (1)

Dosage (1)

Interactions (2)

Condition	Relationship Strength	Studies	Trials
2019 Novel Coronavirus Disease	low	1	0
2019 Novel Coronavirus Infection	low	1	0
2019-nCoV Disease	low	1	0
2019-nCoV Infection	low	1	0
Abnormalities, Autosome	low	1	0
Abnormalities, Chromosomal	low	1	0
Abnormalities, Chromosome	low	1	0
Achalasia	low	1	0
Achalasia, Esophageal	low	1	0
Acute Confusional Senile Dementia	low	1	0
Adverse Drug Event	low	2	0
Adverse Drug Reaction	low	2	0
Age-Related Osteoporosis	low	1	0
Allergy, Drug	low	1	0
Alzheimer Dementia	low	1	0
Alzheimer Disease	low	1	0
Alzheimer Disease, Early Onset	low	1	0
Alzheimer Disease, Late Onset	low	1	0
Alzheimer Sclerosis	low	1	0
Alzheimer Syndrome	low	1	0
Alzheimer Type Senile Dementia	low	1	0
Alzheimer-Type Dementia (ATD)	low	1	0
Alzheimer's Disease	low	1	0
Alzheimer's Disease, Focal Onset	low	1	0
Alzheimer's Diseases	low	1	0
Amphetamine Abuse	low	1	0
Amphetamine Addiction	low	1	0
Amphetamine Dependence	low	1	0
Amphetamine-Related Disorders	low	1	0
Anemia, Fanconi	low	1	0
Anemia, Sickle Cell	low	1	0
Angina Pectoris	medium	20	6
Angina Pectoris, Variant	low	1	0
Angor Pectoris	medium	20	6
Anoxemia	low	1	0
Anoxia	low	1	0
Arrhythmia	low	1	0
Arrhythmias, Cardiac	low	1	0
Arrythmia	low	1	0
Arteriosclerosis	low	1	0
Autosome Abnormalities	low	1	0
Benign Neoplasms, Brain	low	1	0
Bladder Cancer	low	1	0
Bladder Neoplasms	low	1	0
Bladder Tumors	low	1	0
Blood Pressure, High	low	2	0
Bone Loss, Age-Related	low	1	0
Brain Cancer	low	1	0
Brain Metastases	low	1	0
Brain Neoplasm, Primary	low	1	0
Brain Neoplasms	low	1	0
Brain Neoplasms, Benign	low	1	0
Brain Neoplasms, Malignant	low	1	0
Brain Neoplasms, Malignant, Primary	low	1	0
Brain Neoplasms, Primary Malignant	low	1	0
Brain Tumor, Primary	low	1	0
Brain Tumor, Recurrent	low	1	0
Brain Tumors	low	1	0
Brain Vascular Disorders	low	1	0
Cancer of Bladder	low	1	0
Cancer of Brain	low	1	0
Cancer of Liver	low	1	0
Cancer of Mouth	low	1	0
Cancer of Pancreas	low	2	0
Cancer of Prostate	low	1	0
Cancer of the Bladder	low	1	0
Cancer of the Brain	low	1	0
Cancer of the Liver	low	1	0
Cancer of the Mouth	low	1	0
Cancer of the Pancreas	low	2	0
Cancer of the Prostate	low	1	0
Cancer, Hepatocellular	low	1	0
Carcinoma, Ductal, Pancreatic	low	1	0
Carcinoma, Hepatocellular	low	1	0
Carcinoma, Pancreatic Ductal	low	1	0
Carcinoma, Transitional Cell	low	1	0
Cardiac Arrhythmia	low	1	0
Cardiac Arrhythmias	low	1	0
Cardiac Dysrhythmia	low	1	0
Cardiac Failure	low	2	0
Cardiospasm	low	1	0
Cardiovascular Stroke	medium	3	1
Cerebrovascular Diseases	low	1	0
Cerebrovascular Disorders	low	1	0
Cerebrovascular Insufficiency	low	1	0
Cerebrovascular Occlusion	low	1	0
Cholera Infantum	low	1	0
Chromosomal Aberrations	low	1	0
Chromosome Aberrations	low	1	0
Chromosome Abnormalities	low	1	0
Chronic Disease	medium	4	3
Chronic Illness	medium	4	3
Chronically Ill	medium	4	3
Cocaine Abuse	low	1	0
Cocaine Addiction	low	1	0
Cocaine Dependence	low	1	0
Cocaine-Related Disorders	low	1	0
Cold Fingers, Hereditary	medium	2	1
Compensatory Hyperinsulinemia	low	1	0
Congenital Zika Syndrome	low	1	0
Congenital Zika Virus Infection	low	1	0
Congestive Heart Failure	low	2	0
Connective Tissue Diseases	low	1	0
Coronary Artery Vasospasm	low	1	0
Coronary Disease	medium	28	10
Coronary Heart Disease	medium	28	10
Coronary Vasospasm	low	1	0
Coronavirus Disease 2019	low	1	0
Coronavirus Disease-19	low	1	0
COVID-19	low	1	0
COVID-19 Pandemic	low	1	0
COVID-19 Pandemics	low	1	0
COVID-19 Virus Disease	low	1	0
COVID-19 Virus Infection	low	1	0
COVID19	low	1	0
Cytogenetic Aberrations	low	1	0
Cytogenetic Abnormalities	low	1	0
Deficiency, Oxygen	low	1	0
Dementia, Alzheimer Type	low	1	0
Dementia, Presenile	low	1	0
Dementia, Primary Senile Degenerative	low	1	0
Dementia, Senile	low	1	0
Diabetes Mellitus, Adult-Onset	low	1	0
Diabetes Mellitus, Ketosis-Resistant	low	1	0
Diabetes Mellitus, Maturity-Onset	low	1	0
Diabetes Mellitus, Non Insulin Dependent	low	1	0
Diabetes Mellitus, Non-Insulin-Dependent	low	1	0
Diabetes Mellitus, Noninsulin Dependent	low	1	0
Diabetes Mellitus, Noninsulin-Dependent	low	1	0
Diabetes Mellitus, Slow-Onset	low	1	0
Diabetes Mellitus, Stable	low	1	0
Diabetes Mellitus, Type 2	low	1	0
Diabetes Mellitus, Type II	low	1	0
Disease Models, Animal	low	3	0
Drug Allergy	low	1	0
Drug Hypersensitivity	low	1	0
Drug Side Effects	low	2	0
Drug Toxicity	low	2	0
Drug-Related Side Effects and Adverse Reactions	low	2	0
Duct-Cell Carcinoma of the Pancreas	low	1	0
Duct-Cell Carcinoma, Pancreas	low	1	0
Ductal Carcinoma of the Pancreas	low	1	0
Early Onset Alzheimer Disease	low	1	0
Ebola Hemorrhagic Fever	low	1	0
Ebola Infection	low	1	0
Ebola Virus Disease	low	1	0
Ebola Virus Infection	low	1	0
Ebolavirus Infection	low	1	0
Ectopic Ossification	low	1	0
Endogenous Hyperinsulinism	low	1	0
Esophageal Achalasia	low	1	0
Exogenous Hyperinsulinism	low	1	0
Experimental Neoplasms	low	1	0
Extravascular Hemolysis	low	1	0
Familial Alzheimer Disease (FAD)	low	1	0
Fanconi Anemia	low	1	0
Fanconi Hypoplastic Anemia	low	1	0
Fanconi Pancytopenia	low	1	0
Fanconi Panmyelopathy	low	1	0
Fanconi's Anemia	low	1	0
Fever, Zika	low	1	0
Fibrodysplasia Ossificans Progressiva	low	1	0
Focal Onset Alzheimer's Disease	low	1	0
Functional Gastrointestinal Disorders	low	1	0
Gastrointestinal Diseases	low	1	0
Gastrointestinal Disorders	low	1	0
Gastrointestinal Disorders, Functional	low	1	0
Haemolysis	low	1	0
HbS Disease	low	1	0
Heart Attack	medium	3	1
Heart Decompensation	low	2	0
Heart Failure	low	2	0
Heart Failure, Congestive	low	2	0
Heart Failure, Left-Sided	low	2	0
Heart Failure, Right-Sided	low	2	0
Heart Valve Diseases	low	1	0
Heart Valvular Disease	low	1	0
Hemoglobin S Disease	low	1	0
Hemolysis	low	1	0
Hemorrhagic Fever, Ebola	low	1	0
Hepatic Cancer	low	1	0
Hepatic Neoplasms	low	1	0
Hepatocellular Cancer	low	1	0
Hepatocellular Carcinoma	low	1	0
Hepatoma	low	1	0
Heterotopic Ossification	low	1	0
Hyperinsulinemia	low	1	0
Hyperinsulinism	low	1	0
Hyperparathyroidism	low	1	0
Hypersensitivity, Drug	low	1	0
Hypertension	low	2	0
Hypothermia	low	1	0
Hypothermia, Accidental	low	1	0
Hypoxemia	low	1	0
Hypoxia	low	1	0
Injury, Ischemia-Reperfusion	low	2	0
Injury, Reperfusion	low	2	0
Intracranial Neoplasms	low	1	0
Intracranial Vascular Disorders	low	1	0
Intravascular Hemolysis	low	1	0
Ischemia-Reperfusion Injury	low	2	0
Labor, Premature	low	1	0
Late Onset Alzheimer Disease	low	1	0
Left-Sided Heart Failure	low	2	0
Liver Cancer	low	1	0
Liver Cancer, Adult	low	1	0
Liver Cell Carcinoma	low	1	0
Liver Cell Carcinoma, Adult	low	1	0
Liver Neoplasms	low	1	0
Malignant Neoplasms, Brain	low	1	0
Malignant Primary Brain Neoplasms	low	1	0
Malignant Primary Brain Tumors	low	1	0
Malignant Tumor of Urinary Bladder	low	1	0
Maturity-Onset Diabetes	low	1	0
Maturity-Onset Diabetes Mellitus	low	1	0
Megaesophagus	low	1	0
Metastase	low	1	0
Metastases, Neoplasm	low	1	0
Metastasis	low	1	0
Metastasis, Neoplasm	low	1	0
MODY	low	1	0
Mouth Cancer	low	1	0
Mouth Neoplasms	low	1	0
Muscle Contraction	low	4	0
Muscle Relaxation	low	2	0
Myocardial Failure	low	2	0
Myocardial Infarct	medium	3	1
Myocardial Infarction	medium	3	1
Myositis Ossificans	low	1	0
Myositis Ossificans Progressiva	low	1	0
Neoplasm Metastases	low	1	0
Neoplasm Metastasis	low	1	0
Neoplasms, Bladder	low	1	0
Neoplasms, Brain	low	1	0
Neoplasms, Brain, Benign	low	1	0
Neoplasms, Brain, Malignant	low	1	0
Neoplasms, Brain, Primary	low	1	0
Neoplasms, Experimental	low	1	0
Neoplasms, Hepatic	low	1	0
Neoplasms, Intracranial	low	1	0
Neoplasms, Liver	low	1	0
Neoplasms, Mouth	low	1	0
Neoplasms, Oral	low	1	0
Neoplasms, Pancreatic	low	2	0
Neoplasms, Prostate	low	1	0
Neoplasms, Prostatic	low	1	0
Nervous System Diseases	low	1	0
Nervous System Disorders	low	1	0
Neuroblastoma	low	2	0
Neurologic Disorders	low	1	0
Neurological Disorders	low	1	0
NIDDM	low	1	0
Noninsulin-Dependent Diabetes Mellitus	low	1	0
Obstetric Labor, Premature	low	1	0
Oral Cancer	low	1	0
Oral Neoplasms	low	1	0
Ossification, Ectopic	low	1	0
Ossification, Heterotopic	low	1	0
Ossification, Pathologic	low	1	0
Ossification, Pathological	low	1	0
Osteogenic Sarcoma	low	1	0
Osteoporosis	low	1	0
Osteoporosis, Age-Related	low	1	0
Osteoporosis, Involutional	low	1	0
Osteoporosis, Post-Traumatic	low	1	0
Osteoporosis, Senile	low	1	0
Osteosarcoma	low	1	0
Osteosarcoma Tumor	low	1	0
Oxygen Deficiency	low	1	0
Pancreas Cancer	low	2	0
Pancreas Neoplasms	low	2	0
Pancreatic Cancer	low	2	0
Pancreatic Duct Cell Carcinoma	low	1	0
Pancreatic Ductal Carcinoma	low	1	0
Pancreatic Neoplasms	low	2	0
Paraganglioma	low	1	0
Paraganglioma, Gangliocytic	low	1	0
Paragangliomas 1	low	1	0
Paragangliomas, Familial, 1	low	1	0
Paragangliomata	low	1	0
Pathologic Ossification	low	1	0
Pregnancy	low	1	0
Premature Labor	low	1	0
Premature Obstetric Labor	low	1	0
Presenile Alzheimer Dementia	low	1	0
Preterm Labor	low	1	0
Primary Brain Neoplasms	low	1	0
Primary Malignant Brain Neoplasms	low	1	0
Primary Malignant Brain Tumors	low	1	0
Primary Senile Degenerative Dementia	low	1	0
Prinzmetal Angina	low	1	0
Prinzmetal's Angina	low	1	0
Progressive Myositis Ossificans	low	1	0
Progressive Ossifying Myositis	low	1	0
Prostate Cancer	low	1	0
Prostate Neoplasms	low	1	0
Prostatic Cancer	low	1	0
Prostatic Neoplasms	low	1	0
Raynaud Disease	medium	2	1
Raynaud Phenomenon	medium	2	1
Raynaud's Disease	medium	2	1
Reperfusion Damage	low	2	0
Reperfusion Injury	low	2	0
Right-Sided Heart Failure	low	2	0
Sarcoma, Osteogenic	low	1	0
SARS Coronavirus 2 Infection	low	1	0
SARS-CoV-2 Infection	low	1	0
Senile Dementia, Acute Confusional	low	1	0
Senile Dementia, Alzheimer Type	low	1	0
Senile Osteoporosis	low	1	0
Sensitivity and Specificity	low	1	0
Sickle Cell Anemia	low	1	0
Sickle Cell Disease	low	1	0
Sickle Cell Disorders	low	1	0
Sickling Disorder Due to Hemoglobin S	low	1	0
Side Effects of Drugs	low	2	0
Stenocardia	medium	20	6
Tachyarrhythmia	low	1	0
Tachycardia	low	1	0
Torsade de Pointes	low	1	0
Torsades de Pointes	low	1	0
Toxicity, Drug	low	2	0
Type 2 Diabetes	low	1	0
Type 2 Diabetes Mellitus	low	1	0
Urinary Bladder Cancer	low	1	0
Urinary Bladder Neoplasms	low	1	0
Valvular Heart Diseases	low	1	0
Vascular Calcification	low	1	0
Vascular Calcinosis	low	1	0
Vascular Diseases, Intracranial	low	1	0
Zika Fever	low	1	0
Zika Virus Disease	low	1	0
Zika Virus Infection	low	1	0
ZikV Infection	low	1	0

Article	Year
Identification of Potent and Safe Antiviral Therapeutic Candidates Against SARS-CoV-2. Frontiers in immunology, Volume: 11	2020
Fendiline Enhances the Cytotoxic Effects of Therapeutic Agents on PDAC Cells by Inhibiting Tumor-Promoting Signaling Events: A Potential Strategy to Combat PDAC. International journal of molecular sciences, May-16, Volume: 20, Issue: 10	2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

fendiline

Description

Cross-References

Synonyms (71)

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Overview

Effects

Actions

Drug Classes (1)

Protein Targets (14)

Potency Measurements

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Biological Processes (135)

Molecular Functions (38)

Ceullar Components (37)

Bioassays (79)

Research

Studies (148)

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Related Drugs (859)

Related Conditions (335)

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Interactions (2)