compound 5k [PMID: 23528296]

Ligand id: 8801

Name: compound 5k [PMID: 23528296]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 375.15
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Database Links
ChEMBL Ligand CHEMBL2377621
PubChem CID 71601847
Search Google for chemical match using the InChIKey ORQHHLPTMSGMQT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ORQHHLPTMSGMQT
Search UniChem for chemical match using the InChIKey ORQHHLPTMSGMQT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ORQHHLPTMSGMQT
Comments
Compound 5k is one of the most potent compounds reported in a series designed to identify fatty acid transport protein 1 (SLC27A1) inhibitors [1]. Compound 5k also has favourable pharmacokinetic properties.