Structure

InChI Key NGYNBSHYFOFVLS-LBPRGKRZSA-N
Smiles Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
InChI
InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21ClFN3O4S
Molecular Weight 441.91
AlogP 3.66
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 107.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Interleukin-8 receptor B antagonist ANTAGONIST PubMed

Target Conservation

Protein: Interleukin-8 receptor B

Description: C-X-C chemokine receptor type 2

Organism : Homo sapiens

P25025 ENSG00000180871

Cross References

Resources Reference
ChEMBL CHEMBL3039531
DrugBank DB11922
FDA SRS R318PGH5VP
Guide to Pharmacology 8500
PubChem 24780598
SureChEMBL SCHEMBL1198688
ZINC ZINC000095627831