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Name | CHEMBL348599 |
---|---|
Molecular formula | C31H31Cl2F3N4O2 |
IUPAC name | N-[2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methyl-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide |
Molecular weight | 619.51 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 6.9 |
Synonyms | N/A |
Inchi Key | BEEQXPRIGOACQA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H31Cl2F3N4O2/c1-39(28(41)22-6-5-9-25(18-22)30(37-38-30)31(34,35)36)20-23(21-10-11-26(32)27(33)19-21)12-15-40-16-13-29(42,14-17-40)24-7-3-2-4-8-24/h2-11,18-19,23,42H,12-17,20H2,1H3 |
PubChem CID | 10394084 |
ChEMBL | CHEMBL348599 |
IUPHAR | N/A |
BindingDB | 50288956 |
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 |
---|---|---|---|---|---|
21500 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
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