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Ligand

NameCHEMBL554154
Molecular formulaC35H32ClN3O2
IUPAC name2-[1-[[5-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]methyl]cyclopropyl]acetic acid
Molecular weight562.11
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50296085
2-(1-((5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)methyl)cyclopropyl)acetic acid
Inchi KeyBRXAPWZPFXXMER-XYOKQWHBSA-N
Inchi IDInChI=1S/C35H32ClN3O2/c36-27-11-9-26-10-13-28(37-31(26)19-27)12-8-24-4-3-5-25(18-24)21-39-32-7-2-1-6-29(32)30-22-38(17-14-33(30)39)23-35(15-16-35)20-34(40)41/h1-13,18-19H,14-17,20-23H2,(H,40,41)/b12-8+
PubChem CID45273490
ChEMBLCHEMBL554154
IUPHARN/A
BindingDB50296085
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31437Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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