Synonyms
Status
Molecule Category UNKNOWN
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

Bioactivity

Mechanism of Action Action Reference
Leukotriene B4 receptor antagonist ANTAGONIST PubMed PubMed
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
Assay Description Organism Bioactivity Reference
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils None 280.0 nM
Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils. None 2.0 nM Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils. None 2.4 nM Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils. None 7.0 nM
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood None 660.0 nM
Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils. None 56.0 nM Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils. None 6.8 nM Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils. None 13.0 nM

Cross References

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