CP-195543

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Synonyms
Status
Molecule Category Free-form
UNII YB1F0V77MK

Structure

InChI Key NZQDWKCNBOELAI-KSFYIVLOSA-N
Smiles O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O
InChI
InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H19F3O4
Molecular Weight 428.41
AlogP 5.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Leukotriene B4 receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- 2-660 - - -

Target Conservation

Protein: Leukotriene B4 receptor
Description: Leukotriene B4 receptor 1
Organism : Homo sapiens
Q15722 ENSG00000213903
Protein: Leukotriene B4 receptor
Description: Leukotriene B4 receptor 2
Organism : Homo sapiens
Q9NPC1 ENSG00000213906

Cross References

Resources Reference
ChEMBL CHEMBL301829
DrugBank DB13053
FDA SRS YB1F0V77MK
Guide to Pharmacology 6155
PubChem 9823886
SureChEMBL SCHEMBL896066
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