Details of the Drug

General Information of Drug (ID: DMV6NP1)

Drug Name
[Cu(CN)2]-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 115.58
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C2CuN2-
IUPAC Name
copper(1+);dicyanide
Canonical SMILES
[C-]#N.[C-]#N.[Cu+]
InChI
InChI=1S/2CN.Cu/c2*1-2;/q2*-1;+1
InChIKey
FKUKJMKUXQUDHB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60167587
CAS Number
18973-62-1
TTD ID
D0L2GD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
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
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
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.