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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

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	(2r,4s)-n-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)piperidin-4-yl]quinoline-4-carboxamide AV-608 HY-18006 4-Quinolinecarboxamide, N-(1-(3,5-bis(trifluoromethyl)benzoyl)-2-((4-chlorophenyl)methyl)-4-piperidinyl)-, (2R-trans)- CGP-608 nk 608 SCHEMBL155207 ZINC3946509 ((2r,4s)-N-[1-{3,5-bis(trifluoromethyl)-benzoyl}-2-(4-chloro-benzyl)-4-piperidinyl]-quinoline-4-carboxamide) 987K1SBI71 CS-1077 NKP 608 177707-12-9 BDBM50418331 N-((2R,4S)-1-(3,5-bis(trifluoromethyl)benzoyl)-2-(4-chlorobenzyl)piperidin-4-yl)quinoline-4-carboxamide NXLUTEDAEFXMQR-BJKOFHAPSA-N 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 NKP-608 3930AH C31H24ClF6N3O2 NCGC00378898-01 SC-94533 707N129 CHEMBL1765508 NK608 W-5245 [ 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 SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

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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