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Name | CHEMBL3954657 |
---|---|
Molecular formula | C33H39ClN4O2 |
IUPAC name | (E)-N-[2-[(3R,5R)-3-(2-aminoethyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]propan-2-yl]-3-(4-chlorophenyl)prop-2-enamide |
Molecular weight | 559.151 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | BDBM232054 US9340517, 442 |
Inchi Key | BWOGHILKJXWDHT-RKWUZFRJSA-N |
Inchi ID | InChI=1S/C33H39ClN4O2/c1-33(2,37-31(39)18-15-24-13-16-27(34)17-14-24)30-20-22-38(32(40)29(36-30)19-21-35)23-28(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-18,28-30,36H,19-23,35H2,1-2H3,(H,37,39)/b18-15+/t29-,30-/m1/s1 |
PubChem CID | 127054246 |
ChEMBL | CHEMBL3954657 |
IUPHAR | N/A |
BindingDB | 232054 |
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 |
---|---|---|---|---|---|
534046 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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