adapalene

Ligand Id: 5429
Ligand name adapalene

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 46.53
Molecular weight 412.2
XLogP 10.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1996))
DrugBank groups Approved
IUPAC Name
6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
International Nonproprietary Names
INN number INN
6675 adapalene
Database Links
CAS Registry No. 106685-40-9
ChEBI CHEBI:31174
ChEMBL Ligand CHEMBL1265
DrugBank Ligand DB00210
PubChem CID 60164
Search Google for chemical match using the InChIKey LZCDAPDGXCYOEH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LZCDAPDGXCYOEH
Search PubMed clinical trials adapalene
Search PubMed titles adapalene
Search PubMed titles/abstracts adapalene
Wikipedia Adapalene
ZINC ZINC03784182