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Name | NKP608 |
---|---|
Molecular formula | C31H24ClF6N3O2 |
IUPAC name | N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamide |
Molecular weight | 619.992 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 7.6 |
Synonyms | NK 608;NK-608 UNII-987K1SBI71 (2R,4S)-N-[1-(3,5-Bis-trifluoromethyl-benzoyl)-2-(4-chloro-benzyl)-piperidin-4-yl]-quinoline4-carboxamide AKOS030526662 DTXSID30432754 [ Show all ] |
Inchi Key | NXLUTEDAEFXMQR-BJKOFHAPSA-N |
Inchi ID | InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1 |
PubChem CID | 9917079 |
ChEMBL | CHEMBL1765508 |
IUPHAR | N/A |
BindingDB | 50418331 |
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 |
---|---|---|---|---|---|
234471 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
234472 | Substance-P receptor | Q5DUB1 | TACR1 | Meriones unguiculatus (Mongolian jird) | 407 |
564644 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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