salirasib   Click here for help

GtoPdb Ligand ID: 6281

Synonyms: farnesylthiosalicylic acid | S-farnesylthiosalicylic acid
Compound class: Synthetic organic
Comment: Salirasib (trans-farnesylthiosalicylic acid) is an investigational small molecule which indirectly inhibits RAS protein activity. It is a salicylic acid derivative with potential antineoplastic activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 62.6
Molecular weight 358.2
XLogP 6.96
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(=CCSc1ccccc1C(=O)O)CCC=C(CCC=C(C)C)C
Isomeric SMILES C/C(=C\CSc1ccccc1C(=O)O)/CC/C=C(/CCC=C(C)C)\C
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+
InChI Key WUILNKCFCLNXOK-CFBAGHHKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
International Nonproprietary Names Click here for help
INN number INN
8825 salirasib
Synonyms Click here for help
farnesylthiosalicylic acid | S-farnesylthiosalicylic acid
Database Links Click here for help
CAS Registry No. 162520-00-5 (source: SciFInder)
ChEMBL Ligand CHEMBL23293
GtoPdb PubChem SID 178102901
PubChem CID 5469318
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Tocris
Salirasib
Cat. No. 4989