Drug Information

Drug General Information
Drug ID
D0M4BJ
Former ID
DNC011163
Drug Name
AS-605240
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541283]
Structure
Download
2D MOL

3D MOL
Formula
C12H7N3O2S
InChI
InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
InChIKey
SQWZFLMPDUSYGV-POHAHGRESA-N
PubChem Compound ID
5289247
PubChem Substance ID
7890172, 8026294, 11041534, 16594487, 26759372, 39321480, 46393784, 46508826, 53685194, 90341202, 99302749, 99437139, 103703191, 113873891, 117646056, 121361720, 123121568, 124659187, 124757232, 125164036, 131480870, 134348368, 135631953, 136340111, 136367417, 136920267, 137183494, 141309610, 144115628, 152258085, 152344517, 160646924, 160967747, 162011467, 162146677, 163564901, 163687481, 177748759, 178102645, 186014811, 204380104, 226965556, 241376531, 252157372, 252450598, 252457912
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [531046]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
KEGG Pathway Glycine, serine and threonine metabolism
Arginine and proline metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Metabolic pathways
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholism
PANTHER Pathway Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
WikiPathways Tryptophan metabolism
Dopamine metabolism
Phase 1 - Functionalization of compounds
References
Ref 541283(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6023).
Ref 531046Bioorg Med Chem Lett. 2010 Sep 1;20(17):5295-8. Epub 2010 Jul 1.Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening.

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