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Name | CHEMBL310703 |
---|---|
Molecular formula | C31H36Cl2F6N4O3 |
IUPAC name | 2-[4-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone |
Molecular weight | 697.544 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | BDBM50093120 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-piperazin-1-yl]-pentan-2-one O-methyl-oxime |
Inchi Key | BIAFEJMLZNVRCH-JFXHSDHMSA-N |
Inchi ID | InChI=1S/C31H36Cl2F6N4O3/c1-45-40-28(20-46-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-4-5-26(32)27(33)16-22)6-9-41-10-12-42(13-11-41)18-29(44)43-7-2-3-8-43/h4-5,14-17,25H,2-3,6-13,18-20H2,1H3/b40-28+ |
PubChem CID | 10394952 |
ChEMBL | CHEMBL310703 |
IUPHAR | N/A |
BindingDB | 50093120 |
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 |
---|---|---|---|---|---|
24253 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
24252 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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