Drug General Information
Drug ID
D06GQY
Former ID
DNC010488
Drug Name
PSB-0963
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530711]
Structure
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2D MOL

3D MOL

Formula
C28H17N2NaO5S
Canonical SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC4=CC(=C(C5=C4C(=O)C6=CC=<br />CC=C6C5=O)N)S(=O)(=O)[O-].[Na+]
InChI
1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
InChIKey
YFKPIPRCPCDQAK-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) P2Y purinoceptor 2 Target Info Inhibitor [530711]
Ectonucleoside triphosphate diphosphohydrolase 1 Target Info Inhibitor [530711]
5'-Nucleotidase Target Info Inhibitor [530711]
BioCyc Pathway UTP and CTP dephosphorylation IIPWY-6353:Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Adenosine nucleotides degradation
KEGG Pathway Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channelshsa00230:Purine metabolism
Pyrimidine metabolism
Epstein-Barr virus infectionhsa00230:Purine metabolism
Nicotinate and nicotinamide metabolism
Metabolic pathways
NetPath Pathway IL5 Signaling Pathway
PANTHER Pathway Purine metabolism
Pyrimidine Metabolism
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome G alpha (q) signalling events
P2Y receptors
Surfactant metabolismR-HSA-74259:Purine catabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP2848:Differentiation Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotides
References
Ref 530711J Med Chem. 2010 Mar 11;53(5):2076-86.Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.
Ref 530711J Med Chem. 2010 Mar 11;53(5):2076-86.Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.

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