Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
DY7MH5
|
|||
| Drug Name |
Balovaptan
|
|||
| Synonyms |
1228088-30-9; UNII-RAX5D5AGV6; RG7314; RAX5D5AGV6; RO5285119; 8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; 8-chloro-5-methyl-1-{trans-4-[(pyridin-2-yl)oxy]cyclohexyl}-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Balovaptan [INN]; Balovaptan [USAN]; Balovaptan (USAN/INN); Balovaptan [USAN:INN]; SCHEMBL2471320; SCHEMBL3329710; SCHEMBL3332136; CHEMBL4297183; GTPL10615; compound 1 [PMID: 31951127]; DB14823; RG-7314; SB19643; Ro-5285119; BS-14780; HY-109024; CS-0030526; D11476; 12-chloro-8-methyl-3-[(1r,4r)-4-(pyridin-2-yloxy)cyclohexyl]-2,4,5,8-tetraazatricyclo[8.4.0.0,tetradeca-1(10),3,5,11,13-pentaene; 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-5,6-dihydro-5-methyl-1-(trans-4-(2-pyridinyloxy)cyclohexyl)-; 8-Chloro-5-methyl-1-(trans-4-(2-pyridinyloxy)cyclohexyl)-5,6-dihydro-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Autism spectrum disorder [ICD-11: 6A02; ICD-10: F84.0; ICD-9: 299] | Phase 3 | [1] | |
| Company |
Genentech
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C22H24ClN5O
|
|||
| Canonical SMILES |
CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCC(CC4)OC5=CC=CC=N5)C1
|
|||
| InChI |
1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3
|
|||
| InChIKey |
GMPZPHGHNDMRKL-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 1228088-30-9
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vasopressin V1a receptor (V1AR) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Reactome | Vasopressin-like receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT03504917) A Study of Balovaptan in Adults With Autism Spectrum Disorder With a 2-Year Open-Label Extension. U.S. National Institutes of Health. | |||
| REF 2 | Discovery of Balovaptan, a Vasopressin 1a Receptor Antagonist for the Treatment of Autism Spectrum Disorder. J Med Chem. 2020 Feb 27;63(4):1511-1525. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.