crisaborole

Ligand id: 9151

Name: crisaborole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.48
Molecular weight 251.08
XLogP 2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2016))
IUPAC Name
4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
International Nonproprietary Names
INN number INN
10024 crisaborole
Synonyms
AN 2728 | AN2728 | compound 5b [PMID: 19303290] | Eucrisa®
Database Links
BindingDB Ligand 50277665
CAS Registry No. 906673-24-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL484785
PubChem CID 44591583
Search Google for chemical match using the InChIKey USZAGAREISWJDP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey USZAGAREISWJDP-UHFFFAOYSA-N
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Wikipedia Crisaborole
Comments
Crisaborole is a non-steroidal phosphodiesterase-4 (PDE4) inhibitor acting primarily against the PDE4B isozyme [1]. It was developed by Anacor Pharmaceuticals for its potential anti-inflammatory action in skin conditions such as psoriasis and atopic dermatitis.