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Name | CHEMBL3964629 |
---|---|
Molecular formula | C27H42Cl2N4O2 |
IUPAC name | 3,4-dichloro-N-[[(3R,5R)-1-[(3,5-dimethylcyclohexyl)methyl]-2-oxo-3-[2-(propan-2-ylamino)ethyl]-1,4-diazepan-5-yl]methyl]benzamide |
Molecular weight | 525.559 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 5.4 |
Synonyms | BDBM232016 US9340517, 404 |
Inchi Key | ANCNDIIDLUJRTQ-WDMMGBOLSA-N |
Inchi ID | InChI=1S/C27H42Cl2N4O2/c1-17(2)30-9-7-25-27(35)33(16-20-12-18(3)11-19(4)13-20)10-8-22(32-25)15-31-26(34)21-5-6-23(28)24(29)14-21/h5-6,14,17-20,22,25,30,32H,7-13,15-16H2,1-4H3,(H,31,34)/t18?,19?,20?,22-,25-/m1/s1 |
PubChem CID | 127054209 |
ChEMBL | CHEMBL3964629 |
IUPHAR | N/A |
BindingDB | 232016 |
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 |
---|---|---|---|---|---|
533951 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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