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Name | CHEMBL475333 |
---|---|
Molecular formula | C29H33N5O3 |
IUPAC name | (2S)-1-N-[[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide |
Molecular weight | 499.615 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | 1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide BDBM50246721 |
Inchi Key | BVLMUIWKBRMVPU-SANMLTNESA-N |
Inchi ID | InChI=1S/C29H33N5O3/c1-20-16-21(12-13-22(20)17-30-29(37)33-15-7-11-26(33)28(36)31(2)3)27(35)34-19-24-9-6-14-32(24)18-23-8-4-5-10-25(23)34/h4-6,8-10,12-14,16,26H,7,11,15,17-19H2,1-3H3,(H,30,37)/t26-/m0/s1 |
PubChem CID | 25178963 |
ChEMBL | CHEMBL475333 |
IUPHAR | N/A |
BindingDB | 50246721 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
33843 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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