Details of the Drug

General Information of Drug (ID: DMARWG5)

Drug Name
HYDRAZINECARBOXAMIDE
Synonyms
Aminourea; 57-56-7; Carbamylhydrazine; Carbazamide; Semikarbazid; Urea, amino-; Aminoharnstoff; Aminomocovina; Hydrazine, carbamoyl-; Carbamoylhydrazine; Carbamic acid, hydrazide; Carbamidsaeurehydrazid; Semikarbazid [Czech]; Aminomocovina [Czech]; UNII-37QUC23K2X; EINECS 200-339-6; CHEMBL903; BRN 0506319; 37QUC23K2X; CHEBI:28306; DUIOPKIIICUYRZ-UHFFFAOYSA-N; 4426-72-6; Hydrazinecarboxamide, hydrochloride (1:1); isosemicarbazide; amino-urea; 1-azanylurea; carbamic acid hydrazide; Lopac-S-2201
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) 75.07
Logarithm of the Partition Coefficient (xlogp) -1.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
CH5N3O
IUPAC Name
aminourea
Canonical SMILES
C(=O)(N)NN
InChI
InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChIKey
DUIOPKIIICUYRZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5196
ChEBI ID
CHEBI:28306
CAS Number
57-56-7
TTD ID
D0A4IY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amine oxidase 3 (AOC3) OT30YKV0 AOC3_HUMAN Gene/Protein Processing [2]
Glutamate receptor ionotropic, NMDA 1 (GRIN1) OTZ5YBO8 NMDZ1_HUMAN Gene/Protein Processing [3]
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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fluorinated phenylcyclopropylamines. 2. Effects of aromatic ring substitution and of absolute configuration on inhibition of microbial tyramine oxi... J Med Chem. 2004 Nov 18;47(24):5860-71.
2 Amine metabolism: a novel path to coronary artery vasospasm. Toxicol Appl Pharmacol. 2001 Sep 1;175(2):149-59.
3 The food contaminant semicarbazide acts as an endocrine disrupter: Evidence from an integrated in vivo/in vitro approach. Chem Biol Interact. 2010 Jan 5;183(1):40-8. doi: 10.1016/j.cbi.2009.09.016.