TCS 1102

Ligand id: 9304

Name: TCS 1102

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 92.53
Molecular weight 470.18
XLogP 7.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
Synonyms
TCS-1102
Database Links
CAS Registry No. 916141-36-1 (source: PubChem)
ChEMBL Ligand CHEMBL429848
PubChem CID 11960895
Search Google for chemical match using the InChIKey YSBGRVXJEMSEQY-DEOSSOPVSA-N
Search Google for chemicals with the same backbone YSBGRVXJEMSEQY
Search UniChem for chemical match using the InChIKey YSBGRVXJEMSEQY-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone YSBGRVXJEMSEQY
Comments
TCS 1102 is a dual orexin antagonist, with potent in vivo central activity in a pharmacodynamic model of orexin activity [1].