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Name | CHEMBL432973 |
---|---|
Molecular formula | C36H39FN4O3 |
IUPAC name | 1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-piperidin-1-ylethyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide |
Molecular weight | 594.731 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.6 |
Synonyms | 3''N-(2-hexahydro-1-pyridinylethyl)-1-[4-(2-fluorophenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1''-(2''-cyclopentene)]-3''-carboxamide BDBM50147225 |
Inchi Key | ALTXCOPWMUDTBZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H39FN4O3/c37-31-10-4-3-9-30(31)34(43)39-29-14-12-26(13-15-29)35(44)41-22-18-36(24-27-8-2-5-11-32(27)41)17-16-28(25-36)33(42)38-19-23-40-20-6-1-7-21-40/h2-5,8-15,25H,1,6-7,16-24H2,(H,38,42)(H,39,43) |
PubChem CID | 44336402 |
ChEMBL | CHEMBL432973 |
IUPHAR | N/A |
BindingDB | 50147225 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
8576 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
8575 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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