Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E9DE
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| Former ID |
DIB018986
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| Drug Name |
BMS compound 4c
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
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| Formula |
C24H21F3N4OS
|
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| Canonical SMILES |
CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NN=C(S3)C4=CC=C(C=C4)C(F)(F)F
|
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| InChI |
1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)
|
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| InChIKey |
ROIKEXLVELZTIZ-UHFFFAOYSA-N
|
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 1 (P2RY1) | Target Info | Antagonist | [2] |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Platelet activation | ||||
| Reactome | G alpha (q) signalling events | |||
| P2Y receptors | ||||
| ADP signalling through P2Y purinoceptor 1 | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Signal amplification | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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: 5901). | |||
| REF 2 | New azole antagonists with high affinity for the P2Y(1) receptor. Bioorg Med Chem Lett. 2013 Jun 15;23(12):3519-22. | |||
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