compound 1a [PMID: 24900311]

Ligand id: 7799

Name: compound 1a [PMID: 24900311]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 88.69
Molecular weight 365.14
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-2-ylurea
Database Links
PubChem CID 86277840
Search Google for chemical match using the InChIKey IFQNPGNCFXITTG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IFQNPGNCFXITTG
Search UniChem for chemical match using the InChIKey IFQNPGNCFXITTG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IFQNPGNCFXITTG
Comments
Compound 1a is a surrogate agonist for GPR139, identified in a screening study [1].