Drug General Information
Drug ID
D0DZ1K
Former ID
DNC014205
Drug Name
PSB-0952
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530711]
Structure
Download
2D MOL

3D MOL

Formula
C21H12FN2NaO7S
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)F)<br />C(=O)O)S(=O)(=O)[O-])N.[Na+]
InChI
1S/C21H13FN2O7S.Na/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26;/h1-8,24H,23H2,(H,27,28)(H,29,30,31);/q;+1/p-1
InChIKey
MRYMOKKNOJHNGA-UHFFFAOYSA-M
PubChem Compound ID
Target and Pathway
Target(s) 5'-Nucleotidase Target Info Inhibitor [530711]
P2Y purinoceptor 6 Target Info Inhibitor [530711]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Adenosine nucleotides degradation
KEGG Pathway Purine metabolism
Pyrimidine metabolism
Nicotinate and nicotinamide metabolism
Metabolic pathwayshsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Purine metabolism
Pyrimidine Metabolism
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome Purine catabolismR-HSA-416476:G alpha (q) signalling events
P2Y receptors
WikiPathways Differentiation Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotidesWP80:Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.