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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	RP 67580
Molecular formula	C29H30N2O2
IUPAC name	(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Molecular weight	438.571
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	(3aR,7aR)-2-[1-Imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenylperhydro-4-isoindolone 49U9M41BGY B6810 FT-0643247 RP 67,580 SR-01000597596-1 (3ar,7ar)-7,7-diphenyl-2-[1-imino-2-(2-methoxyphenyl)-ethyl] perhydroisoindol-4-one CC-00529 LS-84754 RP-67580 VWBOQFANCXZMAU-LOSJGSFVSA-N (3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7,7-diphenyl-octahydro-isoindol-4-one 2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7,7-diphenyl-octahydro-isoindol-4-one AJ-45635 CTK8E8994 PDSP1_000658 SCHEMBL4349316 (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-di(phenyl)-1,3,3a,5,6,7a-hexahydroisoindol-4-one 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR,7aR)- BDBM50029885 GTPL3522 Tocris-1635 (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one MolPort-003-983-675 RP67580 ZINC3795331 (3aR,7aR)-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4-perhydroisoindolone AKOS022181016 D08KXE PDSP2_000649 SR-01000597596 (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one 4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3aR-cis)- C-35556 J-006783 RP 68651 UNII-49U9M41BGY (3aR,7aR)-2-(1-Imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenylhexahydro-1H-isoindol-4(2H)-one 135911-02-3 AC1L32K1 CHEMBL131171 NCGC00025240-01 RT-015449 [ Show all ]
Inchi Key	VWBOQFANCXZMAU-LOSJGSFVSA-N
Inchi ID	InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1
PubChem CID	107686
ChEMBL	CHEMBL131171
IUPHAR	3522
BindingDB	50029885
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
365734	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
365735	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
365736	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
365737	Substance-P receptor	P30548	Tacr1	Mus musculus (Mouse)	407
365738	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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