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Name | CHEMBL145302 |
---|---|
Molecular formula | C34H43Cl2F6N3O3 |
IUPAC name | 2-[1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]piperidin-2-yl]ethanol |
Molecular weight | 726.626 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 8.3 |
Synonyms | L020325 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-(2-hydroxy-ethyl)-piperidin-1-ylmethyl]-piperidin-1-yl}-pentan-2-one O-methyl-oxime BDBM50096931 |
Inchi Key | AUQCRJDJIAOZCU-WUGRJRDASA-N |
Inchi ID | InChI=1S/C34H43Cl2F6N3O3/c1-47-43-32(22-48-21-24-16-26(33(37,38)39)19-27(17-24)34(40,41)42)29(25-5-6-30(35)31(36)18-25)9-14-44-12-7-23(8-13-44)20-45-11-3-2-4-28(45)10-15-46/h5-6,16-19,23,28-29,46H,2-4,7-15,20-22H2,1H3/b43-32+ |
PubChem CID | 44215306 |
ChEMBL | CHEMBL145302 |
IUPHAR | N/A |
BindingDB | 50096931 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
14881 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
14882 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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