Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02SMK
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| Former ID |
DIB019135
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| Drug Name |
CID1172084
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| Synonyms |
CID 1172084
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C23H18FN5O2S2
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| Canonical SMILES |
CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F
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| InChI |
1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)
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| InChIKey |
NQAXYXKWUOWLNN-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | G-protein coupled receptor 55 (GPR55) | Target Info | Agonist | [2] |
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCR ligand binding | |||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| 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: 5564). | |||
| REF 2 | Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands. Biochemistry. 2011 Jun 28;50(25):5633-47. | |||
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