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Name | CHEMBL3949898 |
---|---|
Molecular formula | C27H39N7O2 |
IUPAC name | N-[[(3R,5R)-1-(cyclohexylmethyl)-3-[3-(diaminomethylideneamino)propyl]-2-oxo-1,4-diazepan-5-yl]methyl]quinoline-3-carboxamide |
Molecular weight | 493.656 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 2.3 |
Synonyms | BDBM232132 US9340517, 520 |
Inchi Key | ADKVQJADKHYOED-ISKFKSNPSA-N |
Inchi ID | InChI=1S/C27H39N7O2/c28-27(29)30-13-6-11-24-26(36)34(18-19-7-2-1-3-8-19)14-12-22(33-24)17-32-25(35)21-15-20-9-4-5-10-23(20)31-16-21/h4-5,9-10,15-16,19,22,24,33H,1-3,6-8,11-14,17-18H2,(H,32,35)(H4,28,29,30)/t22-,24-/m1/s1 |
PubChem CID | 127054319 |
ChEMBL | CHEMBL3949898 |
IUPHAR | N/A |
BindingDB | 232132 |
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 |
---|---|---|---|---|---|
533920 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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