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Ligand

NameRP 67580
Molecular formulaC29H30N2O2
IUPAC name(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
Molecular weight438.571
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
Synonyms(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
[ Show all ]
Inchi KeyVWBOQFANCXZMAU-LOSJGSFVSA-N
Inchi IDInChI=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 CID107686
ChEMBLCHEMBL131171
IUPHAR3522
BindingDB50029885
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
365734Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
365735Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
365736Substance-P receptorP25103TACR1Homo sapiens (Human)407
365737Substance-P receptorP30548Tacr1Mus musculus (Mouse)407
365738Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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