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Ligand

NameCHEMBL42410
Molecular formulaC34H37NO4S2
IUPAC name2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight587.793
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.3
SynonymsBDBM50284898
[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(6-methoxy-benzothiazol-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid
Inchi KeyDRZSYKAOSUWODQ-KPHCWXNXSA-N
Inchi IDInChI=1S/C34H37NO4S2/c1-33(2,38)27-10-5-4-8-24(27)12-15-29(40-22-34(17-18-34)21-32(36)37)25-9-6-7-23(19-25)11-16-31-35-28-14-13-26(39-3)20-30(28)41-31/h4-11,13-14,16,19-20,29,38H,12,15,17-18,21-22H2,1-3H3,(H,36,37)/b16-11+/t29-/m1/s1
PubChem CID44288320
ChEMBLCHEMBL42410
IUPHARN/A
BindingDB50284898
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
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GLASS IDNameUniProtGeneSpeciesLength
67405Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340

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