ro 61-8048 profile

ID Source	ID
PubMed CID	5282337
CHEMBL ID	134915
CHEBI ID	34953
SCHEMBL ID	424256
MeSH ID	M0285755

Synonym
199666-03-0
C14126 ,
ro 61-8048 ,
CHEMBL134915 ,
chebi:34953 ,
EC-000.2437
3,4-dimethoxy-n-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
bdbm50061916
3,4-dimethoxy-n-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide
ro-61-8048
AC1NQZWG ,
3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
S8172
NDPBMCKQJOZAQX-UHFFFAOYSA-N
3,4-dimethoxy-n-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide
CCG-222062
HY-12347
CS-3332
SCHEMBL424256
c17h15n3o6s2
3,4-dimethoxy-n-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide
DTXSID20415218
HB0556
ro61-8048
AC-32906
AKOS024457509
mfcd11040807
EX-A805
3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
ro 61-8048, >=98% (hplc)
J-012900
NCGC00370730-07
FT-0700256
BCP07470
Q27116332
AS-16581
7zr ,
benzenesulfonamide, 3,4-dimethoxy-n-[4-(3-nitrophenyl)-2-thiazolyl]-
SB19626
HMS3886F06
NCGC00370730-13
A899508
NCGC00370730-09
BR170575

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Class	Description
C-nitro compound	A nitro compound having the nitro group (-NO2) attached to a carbon 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)
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	1.8999	0.0123	7.9835	43.2770	AID1645841
G	Vesicular stomatitis virus	Potency	4.2534	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	21.3174	0.0010	8.3798	61.1304	AID1645840
Interferon beta	Homo sapiens (human)	Potency	4.2534	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	4.2534	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	4.2534	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	4.2534	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)
Kynurenine 3-monooxygenase	Homo sapiens (human)	IC50 (µMol)	0.0813	0.0370	1.0688	4.2000	AID1223139; AID1252329; AID1443644
Kynurenine 3-monooxygenase	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0295	0.0220	1.3749	8.0000	AID1223138; AID94546
Kynurenine 3-monooxygenase	Rattus norvegicus (Norway rat)	Ki	0.0048	0.0048	0.0048	0.0048	AID94548
Kynurenine 3-monooxygenase	Mus musculus (house mouse)	IC50 (µMol)	0.0900	0.0900	0.4950	0.9000	AID1223137
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
tryptophan catabolic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
response to salt stress	Kynurenine 3-monooxygenase	Homo sapiens (human)
NAD metabolic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
quinolinate biosynthetic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
kynurenic acid biosynthetic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
'de novo' NAD biosynthetic process from tryptophan	Kynurenine 3-monooxygenase	Homo sapiens (human)
anthranilate metabolic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
kynurenine metabolic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
cellular response to lipopolysaccharide	Kynurenine 3-monooxygenase	Homo sapiens (human)
cellular response to interleukin-1	Kynurenine 3-monooxygenase	Homo sapiens (human)
L-kynurenine metabolic process	Kynurenine 3-monooxygenase	Homo sapiens (human)
positive regulation of glutamate secretion, neurotransmission	Kynurenine 3-monooxygenase	Homo sapiens (human)
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)
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
kynurenine 3-monooxygenase activity	Kynurenine 3-monooxygenase	Homo sapiens (human)
NAD(P)H oxidase H2O2-forming activity	Kynurenine 3-monooxygenase	Homo sapiens (human)
flavin adenine dinucleotide binding	Kynurenine 3-monooxygenase	Homo sapiens (human)
FAD binding	Kynurenine 3-monooxygenase	Homo sapiens (human)
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)
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	Kynurenine 3-monooxygenase	Homo sapiens (human)
mitochondrial outer membrane	Kynurenine 3-monooxygenase	Homo sapiens (human)
cytosol	Kynurenine 3-monooxygenase	Homo sapiens (human)
mitochondrial outer membrane	Kynurenine 3-monooxygenase	Homo sapiens (human)
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)
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 (106)

Assay ID	Title	Year	Journal	Article
AID1223107	Metabolic stability in rat liver microsomes assessed as intrinsic clearance at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223171	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223141	Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223124	Plasma protein binding in rat at 5 and 20 uM for 6 hrs by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223186	Half life in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223140	Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223123	Plasma protein binding in mouse at 5 and 20 uM for 6 hrs by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223138	Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223117	Apparent permeability from apical to basolateral side in MDCK2 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223143	Hepatic extraction ratio in mouse Hepatocyte at 1 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223182	Oral bioavailability in C57BL/6N mouse at 0.05 mg/kg administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223100	Half life in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223110	Metabolic stability in human Hepatocyte assessed as half life at 5 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223131	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223155	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223193	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223136	Metabolic stability in rat liver microsomes assessed as half life at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223187	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223185	Tmax in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223122	Efflux ratio of permeability from basolateral to apical side over apical to basolateral side in MDCK2-MDR1 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223129	Dose normalised Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94538	Compound was evaluated for ex vivo inhibition of Kynurenine 3-hydroxylase activity in brain from Gerbils after injecting perorally	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223172	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223130	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223125	Plasma protein binding in human at 10 uM for 6 hrs by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223120	Apparent permeability from apical to basolateral side in MDCK2-MDR1 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1252329	Inhibition of human KMO	2015	Journal of medicinal chemistry, Nov-25, Volume: 58, Issue:22	Challenges and Opportunities in the Discovery of New Therapeutics Targeting the Kynurenine Pathway.
AID1223180	AUC(infinity) in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223170	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223095	AUC(infinity) in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223111	Metabolic stability in mouse Hepatocyte assessed as intrinsic clearance per 1 million cells at 5 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223098	Volume of distribution at steady state in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223161	Dose normalised AUC in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223134	Metabolic stability in mouse plasma assessed as half life at 5 uM after 10 to 1440 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94540	Percent inhibition of kynurenine 3-hydroxylase, when 30 umol/kg of compound was administered orally in gerbils	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223105	Metabolic stability in human liver microsomes assessed as half life at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223188	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223106	Metabolic stability in mouse liver microsomes assessed as intrinsic clearance at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223195	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94541	Compound was evaluated for ex vivo inhibition of Kynurenine 3-hydroxylase activity in kidney and liver of rat after injecting perorally	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID94548	Inhibitory constant against Kynurenine 3-hydroxylase	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223108	Metabolic stability in human liver microsomes assessed as intrinsic clearance at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223159	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223114	Metabolic stability in human plasma assessed as half life at 5 uM after 10 to 1440 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223190	Oral bioavailability in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg and Ro-61-8048 at 0.05 mg/kg drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223156	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223198	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223109	Metabolic stability in mouse Hepatocyte assessed as half life at 5 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1443644	Inhibition of KMO (unknown origin)
AID1223092	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223165	Dose normalised AUC in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223181	Dose normalised AUC in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223128	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223093	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223142	Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223184	Dose normalised Cmax in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223163	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223135	Metabolic stability in mouse liver microsomes assessed as half life at 5 uM after 5 to 40 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223168	Dose normalised Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223154	AUClast in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94536	Compound was evaluated for ex vivo inhibition of Kynurenine 3-hydroxylase activity in Kidney from Gerbils after injecting perorally	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223139	Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223175	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223147	Cmax in R6/2 mouse at 7.5 mg/kg/day, po	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223192	Dose normalised Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223121	Apparent permeability from basolateral to apical side in MDCK2-MDR1 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223191	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223173	Dose normalised AUC in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223160	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223127	Dose normalised AUC in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 50 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223179	AUClast in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223167	Dose normalised Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223189	Dose normalised AUC in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223169	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9.5 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223157	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223144	Hepatic extraction ratio in human Hepatocyte at 1 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94539	Percent inhibition of kynurenine 3-hydroxylase, when 30 umol/kg of compound was administered orally in gerbil kidney and liver	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223119	Efflux ratio of permeability from basolateral to apical side over apical to basolateral side in MDCK2 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223096	Dose normalised AUC in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223158	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223196	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223164	AUC(infinity) in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223097	Plasma clearance in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223178	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223113	Metabolic stability in rat plasma assessed as half life at 5 uM after 10 to 1440 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223176	Dose normalised Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223194	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 10 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223137	Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223099	Mean residence time in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223166	Cmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223148	Cmax in mouse at 25 mg/kg/day, po	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94546	Inhibition of rat kidney Kynurenine 3-hydroxylase.	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223094	AUClast in C57BL/6N mouse at 5 mg/kg, iv administered as single dose by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID94537	Compound was evaluated for ex vivo inhibition of Kynurenine 3-hydroxylase activity in Liver from Gerbils after injecting perorally	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biochemical evaluation of N-(4-phenylthiazol-2-yl)benzenesulfonamides as high-affinity inhibitors of kynurenine 3-hydroxylase.
AID1223183	Cmax in C57BL/6N mouse at 0.05 mg/kg, po administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223177	Tmax in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 9 mg/kg, po and Ro-61-8048 at 1 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223112	Metabolic stability in human Hepatocyte assessed as intrinsic clearance per 1 million cells at 5 uM after 10 to 90 mins by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223118	Apparent permeability from basolateral to apical side in MDCK2 cells at 10 uM after 1 hr by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
AID1223197	Half life in C57BL/6N mouse treated with JM6 (containing <0.4% Ro-61-8048) at 25 mg/kg, po and Ro-61-8048 at 0.05 mg/kg, po drugs administered via gavage by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048.
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.
AID1347160	Primary screen NINDS Rhodamine 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.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	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.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	5 (10.87)	18.2507
2000's	13 (28.26)	29.6817
2010's	20 (43.48)	24.3611
2020's	8 (17.39)	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	0 (0.00%)	5.53%
Reviews	2 (4.35%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	44 (95.65%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
3-hydroxykynurenine 3-hydroxykynurenine: RN given refers to cpd without isomeric designation. 3-hydroxykynurenine : A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3.. hydroxykynurenine : A hydroxy-amino acid that is kynurenine substituted by a single hydroxy group at unspecified position. A "closed" class.	2.73	3	hydroxykynurenine	human metabolite
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	2.17	1	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
anthranilic acid anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.	2.42	2	aminobenzoic acid	human metabolite; mouse metabolite
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	10.41	18	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.	2.44	2	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	8.27	6	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.	2.08	1	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
kynurenic acid Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.	3.98	13	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
pentamidine Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.	2.05	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	2.02	1	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
xanthurenic acid xanthurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8.	2.07	1	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	3.1	5	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease	2.96	4	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	3.86	3	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
benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.	2.05	1	1,3-benzoxazoles; mancude organic heterobicyclic parent
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	2.15	1	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	6.15	39	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	2.53	2	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	2	1	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.48	2	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
4(5)-phenylimidazole 4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist	3.21	1
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.15	1	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
1-methyltryptophan [no description available]	3.21	1	non-proteinogenic alpha-amino acid; tryptophan derivative	antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
sr141716 [no description available]	2.21	1	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
rti 121 RTI 121: structure given in first source; selectively binds to dopamine transporters	2.05	1
(3-nitrobenzoyl)alanine (3-nitrobenzoyl)alanine: inhibits kynurenine hydroxylase; structure in first source	4.49	7
besonprodil besonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source	2.05	1
pnu 120596 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea: an alpha7nAChR agonist; structure in first source	2.15	1	ureas
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	2.79	3	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
enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.	2.05	1	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
methyl-thiohydantoin-tryptophan methyl-thiohydantoin-tryptophan: structure in first source	3.21	1	organonitrogen compound; organooxygen compound
myelin basic protein Myelin Basic Protein: An abundant cytosolic protein that plays a critical role in the structure of multilamellar myelin. Myelin basic protein binds to the cytosolic sides of myelin cell membranes and causes a tight adhesion between opposing cell membranes.	2.05	1
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	2.05	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
680c91 680C91 : A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin.	3.21	1	fluoroindole; olefinic compound; pyridines	EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	2.05	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
dynorphins Dynorphins: A class of opioid peptides including dynorphin A, dynorphin B, and smaller fragments of these peptides. Dynorphins prefer kappa-opioid receptors (RECEPTORS, OPIOID, KAPPA) and have been shown to play a role as central nervous system transmitters.	2.05	1
piperidines Piperidines: A family of hexahydropyridines.	2.05	1
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	2.07	1
preproenkephalin preproenkephalin: initial enkephalin precursor	2.05	1

Condition	Relationship Strength	Studies
Plasmodium falciparum Malaria [description not available]	2.1	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	2.1	1
Central Nervous System Disease [description not available]	3.03	1
Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.	3.03	1
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	4.07	14
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
Canine Diseases [description not available]	2.31	1
Malignant Melanoma [description not available]	2.31	1
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	2.31	1
2019 Novel Coronavirus Disease [description not available]	3.23	1
Innate Inflammatory Response [description not available]	3.23	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	3.23	1
Endotoxin Shock [description not available]	2.31	1
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	2.31	1
Binge Alcohol Consumption [description not available]	2.17	1
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	2.17	1
Brain Swelling [description not available]	2.25	1
Acute Brain Injuries [description not available]	2.25	1
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	2.25	1
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	2.25	1
Dyskinesia, Medication-Induced [description not available]	2.96	4
Idiopathic Parkinson Disease [description not available]	2.08	1
Dyskinesia, Drug-Induced Abnormal movements, including HYPERKINESIS; HYPOKINESIA; TREMOR; and DYSTONIA, associated with the use of certain medications or drugs. Muscles of the face, trunk, neck, and extremities are most commonly affected. Tardive dyskinesia refers to abnormal hyperkinetic movements of the muscles of the face, tongue, and neck associated with the use of neuroleptic agents (see ANTIPSYCHOTIC AGENTS). (Adams et al., Principles of Neurology, 6th ed, p1199)	2.96	4
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	2.08	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	2.78	3
Chemical Dependence [description not available]	2.08	1
Substance-Related Disorders Disorders related to substance use or abuse.	2.08	1
Delayed Effects, Prenatal Exposure [description not available]	2.5	2
Recrudescence [description not available]	2.54	2
Cerebral Malaria [description not available]	2.44	2
Acanthamoeba Meningoencephalitis [description not available]	2.05	1
African Sleeping Sickness [description not available]	2.05	1
Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.	2.05	1
Autosomal Dominant Juvenile Parkinson Disease [description not available]	2.73	3
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	2.73	3
Experimental Pneumococcal Meningitis [description not available]	2.05	1
Meningitis, Pneumococcal An acute purulent infection of the meninges and subarachnoid space caused by Streptococcus pneumoniae, most prevalent in children and adults over the age of 60. This illness may be associated with OTITIS MEDIA; MASTOIDITIS; SINUSITIS; RESPIRATORY TRACT INFECTIONS; sickle cell disease (ANEMIA, SICKLE CELL); skull fractures; and other disorders. Clinical manifestations include FEVER; HEADACHE; neck stiffness; and somnolence followed by SEIZURES; focal neurologic deficits (notably DEAFNESS); and COMA. (From Miller et al., Merritt's Textbook of Neurology, 9th ed, p111)	2.05	1
Acute Confusional Senile Dementia [description not available]	2.06	1
Akinetic-Rigid Variant of Huntington Disease [description not available]	2.06	1
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	2.06	1
Huntington Disease A familial disorder inherited as an autosomal dominant trait and characterized by the onset of progressive CHOREA and DEMENTIA in the fourth or fifth decade of life. Common initial manifestations include paranoia; poor impulse control; DEPRESSION; HALLUCINATIONS; and DELUSIONS. Eventually intellectual impairment; loss of fine motor control; ATHETOSIS; and diffuse chorea involving axial and limb musculature develops, leading to a vegetative state within 10-15 years of disease onset. The juvenile variant has a more fulminant course including SEIZURES; ATAXIA; dementia; and chorea. (From Adams et al., Principles of Neurology, 6th ed, pp1060-4)	2.06	1
Cerebral Ischemia [description not available]	2.69	3
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	7.69	3
Chorea Disorders [description not available]	2.01	1
Dystonia An attitude or posture due to the co-contraction of agonists and antagonist muscles in one region of the body. It most often affects the large axial muscles of the trunk and limb girdles. Conditions which feature persistent or recurrent episodes of dystonia as a primary manifestation of disease are referred to as DYSTONIC DISORDERS. (Adams et al., Principles of Neurology, 6th ed, p77)	2.43	2
Chorea Involuntary, forcible, rapid, jerky movements that may be subtle or become confluent, markedly altering normal patterns of movement. Hypotonia and pendular reflexes are often associated. Conditions which feature recurrent or persistent episodes of chorea as a primary manifestation of disease are referred to as CHOREATIC DISORDERS. Chorea is also a frequent manifestation of BASAL GANGLIA DISEASES.	2.01	1
Cataract, Membranous [description not available]	2	1
Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed)	2	1
Anterior Choroidal Artery Infarction [description not available]	2	1
Anterior Circulation Transient Ischemic Attack [description not available]	2	1
Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).	2	1
Ischemic Attack, Transient Brief reversible episodes of focal, nonconvulsive ischemic dysfunction of the brain having a duration of less than 24 hours, and usually less than one hour, caused by transient thrombotic or embolic blood vessel occlusion or stenosis. Events may be classified by arterial distribution, temporal pattern, or etiology (e.g., embolic vs. thrombotic). (From Adams et al., Principles of Neurology, 6th ed, pp814-6)	2	1
Coma A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION.	2	1
Absence Seizure [description not available]	2	1
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	2	1
Allergic Encephalomyelitis [description not available]	2	1
MS (Multiple Sclerosis) [description not available]	2	1
Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903)	2	1

ro 61-8048

Cross-References

Synonyms (44)

Research Excerpts

Bioavailability

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Inhibition Measurements

Biological Processes (57)

Molecular Functions (22)

Ceullar Components (23)

Bioassays (106)

Research

Studies (46)

Market Indicators

Research Demand Index: 20.24

Study Types

ro 61-8048

Cross-References

Synonyms (44)

Research Excerpts

Bioavailability

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Inhibition Measurements

Biological Processes (57)

Molecular Functions (22)

Ceullar Components (23)

Bioassays (106)

Research

Studies (46)

Market Indicators

Research Demand Index: 20.24

Study Types

Related Drugs (39)

Related Conditions (59)