ciclopirox   Click here for help

GtoPdb Ligand ID: 11349

Synonyms: Ciclodan® | HOE-296 | HOE-296b | Loprox®
Approved drug PDB Ligand
ciclopirox is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Ciclopirox was originally developed as an antifungal drug. It also has anti-inflammatory activity, which is potentially mediated via inhibition of PARP-1.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 42.23
Molecular weight 207.13
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cc(C2CCCCC2)n(c(=O)c1)O
Isomeric SMILES Cc1cc(C2CCCCC2)n(c(=O)c1)O
InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1982))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3101 ciclopirox
Synonyms Click here for help
Ciclodan® | HOE-296 | HOE-296b | Loprox®
Database Links Click here for help
CAS Registry No. 29342-05-0 (source: PubChem)
ChEMBL Ligand CHEMBL1413
GtoPdb PubChem SID 440816718
PubChem CID 2749
Search Google for chemical match using the InChIKey SCKYRAXSEDYPSA-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey SCKYRAXSEDYPSA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SCKYRAXSEDYPSA-UHFFFAOYSA-N