CGP13501

Ligand id: 7848

Name: CGP13501

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 290.22
XLogP 6.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal
Synonyms
CGP 13501 | CGP-13501
Database Links
ChEMBL Ligand CHEMBL1256746
PubChem CID 3519541
Search Google for chemical match using the InChIKey XGWATTXMMMANFJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XGWATTXMMMANFJ
Search UniChem for chemical match using the InChIKey XGWATTXMMMANFJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XGWATTXMMMANFJ
Comments
CGP13501 is a positive allosteric modulator of GABAB Class C GPCRs [1] which potentiates GABA-induced GTPγ[35S] binding, but displays no intrinsic agonist activity.