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]
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.
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