4‐BCCA   Click here for help

GtoPdb Ligand ID: 11309

Synonyms: trans‐4‐butylcyclohexane carboxylic acid
Compound class: Synthetic organic
Comment: X-ray crystallography shows that 4‐BCCA inhibits AMPA receptor activity by binding (with low‐affinity) to a region in the receptor's transmembrane domain (PDB ID 6XSR) [1]. The interaction was confirmed by mutagenesis of the amino acids predicted to be involved in the ligand-receptor interaction by the X-ray structure and electropysiological measurements in vitro. This discovery helps to explain the molecular mechanism underlying 4‐BCCA's anti-epileptic activity.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 184.15
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCC1CCC(CC1)C(=O)O
Isomeric SMILES CCCCC1CCC(CC1)C(=O)O
InChI InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChI Key BALGERHMIXFENA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-butylcyclohexane-1-carboxylic acid
Synonyms Click here for help
trans‐4‐butylcyclohexane carboxylic acid
Database Links Click here for help
GtoPdb PubChem SID 434321744
PubChem CID 2060518
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