Details of the Drug

General Information of Drug (ID: DMF0CRA)

Drug Name
zinc pyrithione
Synonyms BCP13412
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 317.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
ADMET Property
Elimination
Upon dermal administration, >90% of recovery was obtained from washings of the application site of pigs [2]
Chemical Identifiers
Formula
C10H8N2O2S2Zn
IUPAC Name
zinc;1-oxidopyridin-1-ium-2-thiolate
Canonical SMILES
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
InChI
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
InChIKey
OTPSWLRZXRHDNX-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
26041
CAS Number
13463-41-7
DrugBank ID
DB06815
TTD ID
D07FTI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv7.1 (KCNQ1) TT846HF KCNQ1_HUMAN Activator [3]
Voltage-gated potassium channel Kv7.2 (KCNQ2) TTPXI3S KCNQ2_HUMAN Activator [3]
Voltage-gated potassium channel Kv7.4 (KCNQ4) TT8HGRW KCNQ4_HUMAN Activator [3]
Voltage-gated potassium channel Kv7.5 (KCNQ5) TTWVL5Q KCNQ5_HUMAN Activator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2597).
2 Pyrithione zinc - National Library of Medicine HSDB Database - Toxnet
3 Zinc pyrithione-mediated activation of voltage-gated KCNQ potassium channels rescues epileptogenic mutants. Nat Chem Biol. 2007 May;3(5):287-96.