compound 74a [PMID: 27077528]

Ligand id: 9145

Name: compound 74a [PMID: 27077528]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.24
Molecular weight 326.2
XLogP 4.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3r)-3-(4-tert-butylpyridin-2-yl)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methylcyclobutan-1-ol
Database Links
PubChem CID 121231401
Search Google for chemical match using the InChIKey CWNBNHVIRBCANH-RLLQIKCJSA-N
Search Google for chemicals with the same backbone CWNBNHVIRBCANH
Search UniChem for chemical match using the InChIKey CWNBNHVIRBCANH-RLLQIKCJSA-N
Search UniChem for chemicals with the same backbone CWNBNHVIRBCANH
Comments
Compound 74a is reported as an antaginist of transient receptor potential vanilloid 3 (TRPV3), optimised for pharmacological, physicochemical, and ADME properties [1]. This represents a potent and selective tool compound for TRPV3 studies.