SB-674042

Ligand id: 9136

Name: SB-674042

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 100.36
Molecular weight 448.14
XLogP 6.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone
Synonyms
SB 674042 | SB674042
Database Links
CAS Registry No. 483313-22-0 (source: PubChem)
ChEMBL Ligand CHEMBL2110363
PubChem CID 10204153
RCSB PDB Ligand 4OT
Search Google for chemical match using the InChIKey HYBZWVLPALMACV-KRWDZBQOSA-N
Search Google for chemicals with the same backbone HYBZWVLPALMACV
Search UniChem for chemical match using the InChIKey HYBZWVLPALMACV-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone HYBZWVLPALMACV
SynPHARM 83546 (in complex with OX1 receptor)
Comments
SB-674042 is a non-peptide antagonist selective for the orexin 1 receptor (OX1) [1]. See [3H]SB-674042 for further ligand binding characteristics. Compare with suvorexant, a non-selective orexin receptor antagonist used clinically.