crisaborole   Click here for help

GtoPdb Ligand ID: 9151

Synonyms: AN 2728 | AN2728 | compound 5b [PMID: 19303290] | Eucrisa® | Staquis®
Approved drug Immunopharmacology Ligand
crisaborole is an approved drug (FDA (2016), EMA (2020))
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.48
Molecular weight 251.08
XLogP 2.46
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
Isomeric SMILES N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2016), EMA (2020))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10024 crisaborole
Synonyms Click here for help
AN 2728 | AN2728 | compound 5b [PMID: 19303290] | Eucrisa® | Staquis®
Database Links Click here for help
BindingDB Ligand 50277665
CAS Registry No. 906673-24-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL484785
DrugCentral Ligand 5201
GtoPdb PubChem SID 315661236
PubChem CID 44591583
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UniChem Compound Search for chemical match using the InChIKey USZAGAREISWJDP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey USZAGAREISWJDP-UHFFFAOYSA-N
Wikipedia Crisaborole