compound 74a [PMID: 27077528]

Home
Ligands
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

IUPAC Name

(1R,3r)-3-(4-tert-butylpyridin-2-yl)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methylcyclobutan-1-ol

Database Links
GtoPdb PubChem SID	315661230
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.

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.