Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q1ER
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| Former ID |
DNC011782
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| Drug Name |
CGS-12066B
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| Synonyms |
CGS 12066B; UNII-5TB4SXQ7HG; CGS 12066B-parent; Cgs 12066; CGS12066; 5TB4SXQ7HG; 109028-09-3; 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline; CHEMBL27403; CGS-12066B; CHEBI:64055; CGS-12066A; CGS-12066; CGS-12066A maleate salt; Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-; Pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-; NCGC00024701-01; Tocris-0638; 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt
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| Drug Type |
Small molecular drug
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| Indication | Anxiety disorder [ICD-11: 6B00-6B0Z; ICD-10: R45.0] | Terminated | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C25H25F3N4O8
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| Canonical SMILES |
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
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| InChI |
1S/C17H17F3N4.2C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;2*5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
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| InChIKey |
HTEVMLYDEWVIQE-SPIKMXEPSA-N
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| CAS Number |
CAS 109028-10-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
5658900, 8151746, 11110877, 11113615, 14851157, 24263004, 26751815, 29221846, 47291321, 47291322, 47662508, 50070771, 50104508, 76144594, 85209444, 85787308, 90341822, 103197449, 103927403, 104301319, 124749628, 124879474, 124879475, 124879476, 126407429, 128554479, 131342071, 134348987, 135610867, 135650081, 162220815, 162958006, 179149568, 227848535, 250105533
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 1B receptor (HTR1B) | Target Info | Modulator | [3] |
| KEGG Pathway | cAMP signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Serotonergic synapse | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| 5HT1 type receptor mediated signaling pathway | ||||
| Reactome | Serotonin receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Serotonin HTR1 Group and FOS Pathway | |||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| 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: 109). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006033) | |||
| REF 3 | Biochemical and pharmacological characterization of CGS 12066B, a selective serotonin-1B agonist. Eur J Pharmacol. 1987 Apr 7;136(1):1-9. | |||
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