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Ligand

NameCHEMBL140381
Molecular formulaC36H43NO3S
IUPAC name2-[1-[[(1R)-1-[3-[(E)-2-(7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight569.804
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.3
SynonymsBDBM50069350
(1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-6,7-dihydro-5H-[1]pyrindin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
Inchi KeyCKLRKPMEGUXCIX-KHBSKBJESA-N
Inchi IDInChI=1S/C36H43NO3S/c1-34(2)19-18-27-13-16-29(37-33(27)34)15-12-25-8-7-10-28(22-25)31(41-24-36(20-21-36)23-32(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,22,31,40H,14,17-21,23-24H2,1-4H3,(H,38,39)/b15-12+/t31-/m1/s1
PubChem CID44360640
ChEMBLCHEMBL140381
IUPHARN/A
BindingDB50069350
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44234Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

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