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Name | SCHEMBL2348895 |
---|---|
Molecular formula | C34H39F3N6O2 |
IUPAC name | (E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
Molecular weight | 620.721 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 4.4 |
Synonyms | BDBM231813 US9340517, 200 CHEMBL3942434 |
Inchi Key | ASGHMYKNPGYVBC-DMIICRCOSA-N |
Inchi ID | InChI=1S/C34H39F3N6O2/c35-34(36,37)27-16-13-24(14-17-27)15-18-31(44)41-22-28-19-21-43(32(45)30(42-28)12-7-20-40-33(38)39)23-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-18,28-30,42H,7,12,19-23H2,(H,41,44)(H4,38,39,40)/b18-15+/t28-,30-/m0/s1 |
PubChem CID | 57854043 |
ChEMBL | CHEMBL3942434 |
IUPHAR | N/A |
BindingDB | 231813 |
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 |
---|---|---|---|---|---|
533970 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417