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Name | SCHEMBL2349021 |
---|---|
Molecular formula | C33H38Cl2N6O2 |
IUPAC name | (E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-(2,4-dichlorophenyl)prop-2-enamide |
Molecular weight | 621.607 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 4.8 |
Synonyms | BDBM231773 US9340517, 160 CHEMBL3922824 |
Inchi Key | BQDYRGULYZIWNJ-FMDWORLUSA-N |
Inchi ID | InChI=1S/C33H38Cl2N6O2/c34-26-15-13-25(29(35)20-26)14-16-31(42)39-21-27-17-19-41(32(43)30(40-27)12-7-18-38-33(36)37)22-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,20,27-28,30,40H,7,12,17-19,21-22H2,(H,39,42)(H4,36,37,38)/b16-14+/t27-,30-/m0/s1 |
PubChem CID | 44207882 |
ChEMBL | CHEMBL3922824 |
IUPHAR | N/A |
BindingDB | 231773 |
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 |
---|---|---|---|---|---|
534022 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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