RESATORVID

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Synonyms
Status
Molecule Category Free-form
UNII H2MZ648C31

Structure

InChI Key LEEIJTHMHDMWLJ-CQSZACIVSA-N
Smiles 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

Mechanism of Action Action Reference
Toll-like receptor 4 inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
- 5.7-680 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 680 - - -
Mus musculus
- 1.3-5.7 - - -

Target Conservation

Protein: Toll-like receptor 4
Description: Toll-like receptor 4
Organism : Homo sapiens
O00206 ENSG00000136869

Cross References

Resources Reference
ChEMBL CHEMBL225157
DrugBank DB05943
FDA SRS H2MZ648C31
Guide to Pharmacology 9036
PubChem 11703255
SureChEMBL SCHEMBL872197
ZINC ZINC000013982410
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