SALIRASIB

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Synonyms
FTS
Status
Molecule Category Free-form
UNII MZH0OM550M

Structure

InChI Key WUILNKCFCLNXOK-CFBAGHHKSA-N
Smiles CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O
InChI
InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30O2S
Molecular Weight 358.55
AlogP 6.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
RAS inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 40
Ion channel Voltage-gated ion channel Transient receptor potential channel
800-831.76 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
800-831.76 - - - 40

Cross References

Resources Reference
ChEMBL CHEMBL23293
DrugBank DB12681
FDA SRS MZH0OM550M
Guide to Pharmacology 6281
PubChem 5469318
SureChEMBL SCHEMBL147320
ZINC ZINC000001650377
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