FTI 276

Ligand id: 6531

Name: FTI 276

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 168.55
Molecular weight 433.15
XLogP 3.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid
Synonyms
FTI-276 | FTI276
Database Links
CAS Registry No. 170006-72-1 (source: Scifinder)
ChEMBL Ligand CHEMBL54044
PubChem CID 395754
Search Google for chemical match using the InChIKey ZIXDDEATQSBHHL-BEFAXECRSA-N
Search Google for chemicals with the same backbone ZIXDDEATQSBHHL
Search UniChem for chemical match using the InChIKey ZIXDDEATQSBHHL-BEFAXECRSA-N
Search UniChem for chemicals with the same backbone ZIXDDEATQSBHHL
Comments
This is the parent molecule of the ester prodrug FTI-277, which is the trifluoroacetate salt (PubChem CID 395753). The ester is designed to overcome the potential for thiol-based toxicity. FTI-276 is a peptidomimetic developed as a farnesyltransferase inhibitor (FTI) [2].