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Name | CHEMBL330494 |
---|---|
Molecular formula | C27H25ClFN3O2S |
IUPAC name | N-[4-(1,2,4,4a,5,11-hexahydro-[1,4]thiazino[3,4-c][1,4]benzodiazepine-6-carbonyl)-3-chlorophenyl]-5-fluoro-2-methylbenzamide |
Molecular weight | 510.024 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50146290 N-[3-Chloro-4-(3,4,11,11a-tetrahydro-1H,5H-2-thia-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide |
Inchi Key | CUJHJOKOEBDUSA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H25ClFN3O2S/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33) |
PubChem CID | 44325915 |
ChEMBL | CHEMBL330494 |
IUPHAR | N/A |
BindingDB | 50146290 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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50812 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
50811 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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