compound 5k [PMID: 23528296]   

GtoPdb Ligand ID: 8801

Compound class: Synthetic organic
Comment: 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.
2D Structure
Click here for structure editor
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 1.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2
Isomeric SMILES Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2
InChI InChI=1S/C18H22FN5OS/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)
InChI Key ORQHHLPTMSGMQT-UHFFFAOYSA-N
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
GtoPdb PubChem SID 252827459
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