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Ligand

NameCHEMBL3728009
Molecular formulaC28H31N3OS
IUPAC name1-[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-methoxyphenyl)thiourea
Molecular weight457.636
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.6
SynonymsN/A
Inchi KeyPVIGSSNGUGUCED-AVJYQCBHSA-N
Inchi IDInChI=1S/C28H31N3OS/c1-32-24-15-9-8-14-23(24)29-28(33)30-26-22-16-18-31(19-17-22)27(26)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,25-27H,16-19H2,1H3,(H2,29,30,33)/t26-,27?/m1/s1
PubChem CID11691090
ChEMBLCHEMBL3728009
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
529225Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
529226Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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