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
• #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
  ChEBI ID: CHEMBL1200471
  CAS Number: 13463-41-7
  TTD ID: D07FTI
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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]

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.