Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U0TS
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| Former ID |
DIB021032
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| Drug Name |
TCS-OX2-29
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| Synonyms |
compound 29 [PMID: 14643355]; TCS OX2 29; KB-11822
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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 |
C23H31N3O3
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| Canonical SMILES |
CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3
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| InChI |
1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1
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| InChIKey |
COFVZFLCAOUMJT-OAQYLSRUSA-N
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| CAS Number |
CAS 372523-75-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Orexin receptor type 2 (HCRTR2) | Target Info | Antagonist | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist. Bioorg Med Chem Lett. 2003 Dec 15;13(24):4497-9. | |||
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