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Name | CHEMBL429387 |
---|---|
Molecular formula | C34H51FN4O3 |
IUPAC name | (1S,4R,6S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-methyl-2-azabicyclo[2.2.2]octane-6-carboxamide |
Molecular weight | 582.805 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50169445 SCHEMBL14040523 (1S,4R,6S)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide |
Inchi Key | ARFBDECCXOFCBN-KULMNKMISA-N |
Inchi ID | InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28-,29+/m1/s1 |
PubChem CID | 44397220 |
ChEMBL | CHEMBL429387 |
IUPHAR | N/A |
BindingDB | 50169445 |
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 |
---|---|---|---|---|---|
12405 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
12403 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
12404 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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