Ro 40-6055

Ligand id: 2647

Name: Ro 40-6055

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 66.4
Molecular weight 351.18
XLogP 7.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Synonyms
AM 580
AM580
CD-336
Ro406055
Database Links
BindingDB Ligand 50052414
CAS Registry No. 71-44-3
ChEMBL Ligand CHEMBL69367
NURSA Ligand 10.1621/ZA9Z1YGHZP
PubChem CID 2126
RCSB PDB Ligand EQN&sid=3KMR
Search Google for chemical match using the InChIKey SZWKGOZKRMMLAJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SZWKGOZKRMMLAJ
Comments
Ro 40-6055 (Am580) is a retinoic acid analogue that acts as a selective retinoic acid receptor α (RARĪ±) agonist [1].