7ACC2

Ligand id: 8818

Name: 7ACC2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 66.84
Molecular weight 309.1
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
Synonyms
compound 19 [PMID: 24095010]
Database Links
ChEMBL Ligand CHEMBL2442509
GtoPdb PubChem SID 252827475
PubChem CID 72696735
Search Google for chemical match using the InChIKey XTKDQPFUOFAMRL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XTKDQPFUOFAMRL
Search UniChem for chemical match using the InChIKey XTKDQPFUOFAMRL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XTKDQPFUOFAMRL
Comments
7ACC2 is a lead entity identified as an inhibitor of lactate transport (uptake) mediated by the monocarboxylate transporter 4 (MCT4, SLC16A3) [1]. It is hypothesised that inhibition of lactate flux in cancer cells will have a cytotoxic effect, by limiting their ability to fuel the TCA cycle.