Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H2MZ648C31

Structure

InChI Key LEEIJTHMHDMWLJ-CQSZACIVSA-N
Smile CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl
InChI
InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17ClFNO4S
Molecular Weight 361.82
AlogP 3.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 72.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Toll-like receptor 4 inhibitor PubMed PubMed PubMed
Primary Target
TLR4
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
- 6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sepsis 3 D018805 ClinicalTrials
Acute-On-Chronic Liver Failure 2 D065290 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 243984-11-4
ChEMBL CHEMBL225157
DrugBank DB05943
FDA SRS H2MZ648C31
Guide to Pharmacology 9036
PubChem 11703255
SureChEMBL SCHEMBL872197
ZINC ZINC000013982410