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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	Orvepitant
Molecular formula	C31H35F7N4O2
IUPAC name	(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
Molecular weight	628.636
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	5.4
Synonyms	(2R,4S)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-[(8aS)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-piperidinecarboxamide D0P1YE Orvepitant [USAN:INN] AKOS030231272 GW823296X UNII-IIU6V0W3JD (2R,4S)-N-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-((S)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)piperidine-1-c CHEMBL2105667 DB12427 SB17117 BDBM50442585 IIU6V0W3JD XWNBGDJPEXZSQM-VZOBGQTKSA-N (2R,4S)-N-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-((S)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)piperidine-1-carboxamide D09650 Orvepitant (USAN/INN) 579475-18-6 GW823296 SCHEMBL1421784 NCGC00386593-01 ZINC56898864 [ Show all ]
Inchi Key	XWNBGDJPEXZSQM-VZOBGQTKSA-N
Inchi ID	InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1
PubChem CID	9852175
ChEMBL	CHEMBL2105667
IUPHAR	N/A
BindingDB	50442585
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
402635	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342
402633	Substance-P receptor	Q5DUB1	TACR1	Meriones unguiculatus (Mongolian jird)	407
402634	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
569821	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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