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]
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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

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]

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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.