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Aminoimidazole carboxamide

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Overview

Structure
DrugBank ID
DB06143
Type
Small Molecule
US Approved
NO
Other Approved
NO
Patents
0
Indicated Conditions
0
Clinical Trials
Phase 0
0
Phase 1
0
Phase 2
2
Phase 3
0
Phase 4
0

Identification

Generic Name
Aminoimidazole carboxamide
DrugBank Accession Number
DB06143
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 126.119
Monoisotopic: 126.054160829
Chemical Formula
C4H6N4O
Synonyms
  • 5-Aminoimidazol-4-carboxamide
  • 5-Aminoimidazole-4-carboxamide
  • AIC
  • AICA
  • Aminoimidazole carboxamide
External IDs
  • BA-2756
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Pharmacology

Indication

Investigated for use/treatment in allergic rhinitis and pediatric indications.

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available
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Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Tolamba

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3V0Y2PDE6K
CAS number
360-97-4
InChI Key
DVNYTAVYBRSTGK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
IUPAC Name
4-amino-1H-imidazole-5-carboxamide
SMILES
NC(=O)C1=C(N)N=CN1

References

General References
Not Available
Human Metabolome Database
HMDB0003192
KEGG Compound
C04051
ChemSpider
9298
BindingDB
7957
ChEBI
2030
ChEMBL
CHEMBL1610
ZINC
ZINC000003861263
PDBe Ligand
5AC
Wikipedia
AIC
PDB Entries
3cl8

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedTreatmentSeasonal Allergic Rhinitis1somestatusstop reasonjust information to hide
2TerminatedPreventionSeasonal Allergic Rhinitis1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility124.0 mg/mLALOGPS
logP-1.2ALOGPS
logP-0.96Chemaxon
logS-0.01ALOGPS
pKa (Strongest Acidic)14.52Chemaxon
pKa (Strongest Basic)5.26Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area97.79 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity32.98 m3·mol-1Chemaxon
Polarizability11.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0900000000-82c3c3b612ef0c7f0e2c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-9400000000-688e237bd7f43e12963b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-4900000000-0ed98794e1e802a490cb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-066u-9000000000-a7775c6f0acb7c9c6a5e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-1ad43e1ab0b9d62809c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-7a02d6e4045eb23a23bc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-120.67579
predicted
DarkChem Lite v0.1.0
[M-H]-120.88539
predicted
DarkChem Lite v0.1.0
[M-H]-120.69579
predicted
DarkChem Lite v0.1.0
[M-H]-123.98619
predicted
DeepCCS 1.0 (2019)
[M+H]+121.44699
predicted
DarkChem Lite v0.1.0
[M+H]+121.58449
predicted
DarkChem Lite v0.1.0
[M+H]+121.63549
predicted
DarkChem Lite v0.1.0
[M+H]+127.428474
predicted
DeepCCS 1.0 (2019)
[M+Na]+120.83139
predicted
DarkChem Lite v0.1.0
[M+Na]+120.98599
predicted
DarkChem Lite v0.1.0
[M+Na]+136.51216
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 19:47 / Updated at May 10, 2021 12:36