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Name | CHEMBL3975125 |
---|---|
Molecular formula | C33H43ClN4O4S |
IUPAC name | N-[[(3R,5R)-3-[2-(butylsulfonylamino)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]-6-chloronaphthalene-2-carboxamide |
Molecular weight | 627.241 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 5.8 |
Synonyms | US9340517, 563 BDBM232175 |
Inchi Key | BLCUZMOUSGKIFR-RYHYHUEASA-N |
Inchi ID | InChI=1S/C33H43ClN4O4S/c1-3-5-19-43(41,42)36-17-15-31-33(40)38(23-24(4-2)25-9-7-6-8-10-25)18-16-30(37-31)22-35-32(39)28-12-11-27-21-29(34)14-13-26(27)20-28/h6-14,20-21,24,30-31,36-37H,3-5,15-19,22-23H2,1-2H3,(H,35,39)/t24-,30-,31-/m1/s1 |
PubChem CID | 127054361 |
ChEMBL | CHEMBL3975125 |
IUPHAR | N/A |
BindingDB | 232175 |
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 |
---|---|---|---|---|---|
534010 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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