Details of the Drug

General Information of Drug (ID: DMWGADP)

Drug Name
[Fe(CN)6]4-
Synonyms
FERROCYANIDE; Hexacyanoferrate(II); Hexacyanoferrate II; Hexazyanoferrat(II); hexacyanoferrate(4-); hexacyanidoferrate(II); hexacyanidoferrate(4-); [Fe(CN)6](4-); Iron-hexacyanide; Ferrocyanide salts; hexacyanoferrate(4)-; CHEBI:5032; ORXDSIPBTFAEKJ-UHFFFAOYSA-N; Hexakis(cyano-C)-(OC-6-11)-Ferrate(3-); C01913
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 211.95
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Chemical Identifiers
Formula
C6FeN6-4
IUPAC Name
iron(2+);hexacyanide
Canonical SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]
InChI
InChI=1S/6CN.Fe/c6*1-2;/q6*-1;+2
InChIKey
UETZVSHORCDDTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9552077
ChEBI ID
CHEBI:5032
CAS Number
13408-63-4
TTD ID
D01ENA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase IV (CA-IV) DTT CA4 1.58E-77 -2.02 -1.77
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V and IX with complex fluorides, chlorides and cyanides. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1909-13.