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Name | SCHEMBL2344457 |
---|---|
Molecular formula | C33H40N6O3 |
IUPAC name | (E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-(4-hydroxyphenyl)prop-2-enamide |
Molecular weight | 568.722 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 5 |
XlogP | 3.2 |
Synonyms | US9340517, 169 CHEMBL3901197 BDBM231782 |
Inchi Key | AMORVAMTZWXWQL-ILCJSEBQSA-N |
Inchi ID | InChI=1S/C33H40N6O3/c34-33(35)36-20-7-12-30-32(42)39(23-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26)21-19-27(38-30)22-37-31(41)18-15-24-13-16-28(40)17-14-24/h1-6,8-11,13-18,27,29-30,38,40H,7,12,19-23H2,(H,37,41)(H4,34,35,36)/b18-15+/t27-,30-/m0/s1 |
PubChem CID | 44208330 |
ChEMBL | CHEMBL3901197 |
IUPHAR | N/A |
BindingDB | 231782 |
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 |
---|---|---|---|---|---|
533948 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417