Details of the Drug

General Information of Drug (ID: DMZCA15)

Drug Name
Cynooxide anion
Synonyms
Fulminic acid; formonitrile oxide; Knallsaeure; HCNO; Hydrogen cyanide N-oxide; H-C#NO; formonitrile-N-oxide; [C(H)NO]; [CH(NO)]; (methylidyneammoniumyl)oxidanide; methylidyne(oxo)-lambda(5)-azane; hydrido(oxidonitrato-N)carbon; hydrido(nitrosyl-kappaN)carbon; CHEMBL185198; CHEBI:29813; 51060-05-0; Cynooxide anion; Formnitrile oxide; AC1LAVEA; CTK1G9581; DTXSID30334603; BDBM50152965; formonitrile oxideformonitrile-N-oxidehydrido(nitrosyl-kappaN)carbonhydrido(oxidonitrato-N)carbon
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): 0 Molecular Weight (mw) 43.025
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
CHNO
IUPAC Name
formonitrile oxide
Canonical SMILES
C#[N+][O-]
InChI
InChI=1S/CHNO/c1-2-3/h1H
InChIKey
UXKUODQYLDZXDL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
521293
ChEBI ID
CHEBI:29813
CAS Number
506-85-4
TTD ID
D0T6VB

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]
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 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 the beta-class enzyme from the methanoarchaeon Methanobacterium thermoautotrophicum (Cab) with anions. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4563-7.