Structure

InChI Key NGYNBSHYFOFVLS-LBPRGKRZSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Virus Diseases 2 D014777 ClinicalTrials
Respiratory Syncytial Virus Infections 1 D018357 ClinicalTrials
Respiratory Tract Infections 1 D012141 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 954126-98-8
ChEMBL CHEMBL3039531
DrugBank DB11922
FDA SRS R318PGH5VP
Guide to Pharmacology 8500
PubChem 24780598
SureChEMBL SCHEMBL1198688
ZINC ZINC000095627831