Details of the Drug

General Information of Drug (ID: DMJE4HK)

Drug Name

Cyanide

Synonyms

cyanide; CYANIDE ION; Isocyanide; Cyanide anion; Nitrile anion; Cyanide ions; 57-12-5; Cyanure [French]; Cyanide(1-) ion; Cyanide(1-); Cyanide (anion); UNII-OXN4E7L11K; RCRA waste number P030; Cyanide (CN(sup 1-)); Carbon nitride ion (CN1-); Hydrocyanic acid, ion(1-)-; Carbon nitride ion (CN(sup 1-)); UN1935; RCRA waste no. P030; BRN 1900509; OXN4E7L11K; CN-; Cyanides (soluble salts and complexes) not otherwise specified; Cyanure; Cyanide, free; iminomethanide; isonitrile; Prussiate; Zyanid; Cyano; nitridocarbonate(1-); Cyanide with pota

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

26.017

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: CN-
IUPAC Name: cyanide
Canonical SMILES: [C-]#N
InChI: InChI=1S/CN/c1-2/q-1
InChIKey: XFXPMWWXUTWYJX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5975
ChEBI ID: CHEBI:17514
CAS Number: 57-12-5
TTD ID: D0WV5R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Protein Interaction/Cellular Processes	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effects of atovaquone and other inhibitors on Pneumocystis carinii dihydroorotate dehydrogenase. Antimicrob Agents Chemother. 1995 Feb;39(2):325-8.
2	Purification, characterization, and primary structure of a monofunctional catalase from Methanosarcina barkeri. Arch Microbiol. 1999 Apr;171(5):317-23. doi: 10.1007/s002030050716.