Molecule

5-aminoimidazole-4-carboxamide

AlkaPlorer ID: AK034665

Synonym: '5-amino-4-imidazolecarboxyamide', '5(4)-amino-4(5)-imidazolecarboxamide', '5-aminoimidazole-4-carboxamide', '4-amino-5-imidazolecarboxamide', '4-amino-5-carbamoylimidazole', '5-Amino-4-imidazolecarboxyamide'

IUPAC Name: 4-amino-1H-imidazole-5-carboxamide

Structure

SMILES: N=C(O)C1=C(N)NC=N1

InChI: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)

InChIKey: DVNYTAVYBRSTGK-UHFFFAOYSA-N

Reference

Composition of Herba Pogostemonis Water Extract and Protection of Infected Mice against Salmonella Typhimurium-Induced Liver Damage and Mortality by Stimulation of Innate Immune Cells

PubChem CID: 87210822

CAS: 21299-72-9

LOTUS: LTS0145499

NPASS: NPC293163

COCONUT: CNP0291748

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Pogostemon cablin	Pogostemon	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 126.119

TPSA？: 98.78

MolLogP？: -0.1247300000000001

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	AICAR transformylase	Inhibition	nan	%	10.1021/jm401328u
Homo sapiens	Chromobox protein homolog 1	Potency	89125.1	nM	None
Homo sapiens	Geminin	Potency	259.3	nM	None
Homo sapiens	Guanine deaminase	Ki	4440.0	nM	10.1016/j.bmc.2010.07.054
Homo sapiens	KB	GI	20.0	%	10.1021/jm401328u
Homo sapiens	TAR DNA-binding protein 43	Potency	1778.3	nM	None
Homo sapiens	U-937	GI	nan	None	10.1016/j.ejmech.2011.10.031
Plasmodium falciparum	Plasmodium falciparum	Potency	18526.0	nM	None
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
None	ADMET	Drug uptake	52.0	%	10.1016/j.bmcl.2016.08.064
None	ADMET	Fu	0.48	None	10.1016/j.bmcl.2016.08.064
None	No relevant target	Drug metabolism	nan	None	10.1039/C7MD00554G
None	Nucleic Acid	Activity	nan	None	10.1128/aac.00392-07
None	Unchecked	AC50	90460.0	nM	None
None	Unchecked	Activity	nan	None	10.1128/aac.00392-07
None	Unchecked	IC50	814000.0	nM	10.1128/aac.00392-07
None	Unchecked	Potency	28183.8	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT017301	NC(=O)c1nc[nH]c1N.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N	R04378
AKRT017322	NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N>>NC(=O)c1nc[nH]c1N	R04378