Aicar

Details

• Internal ID: ad5bee82-35f0-46b7-b0fa-20413a77435b
• Taxonomy: Nucleosides, nucleotides, and analogues > Imidazole ribonucleosides and ribonucleotides > 1-ribosyl-imidazolecarboxamides
• IUPAC Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
• SMILES (Canonical): C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N
• SMILES (Isomeric): C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N
• InChI: InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)
• InChI Key: RTRQQBHATOEIAF-UHFFFAOYSA-N
• Popularity: 1,312 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄N₄O₅
• Molecular Weight: 258.23 g/mol
• Exact Mass: 258.09641956 g/mol
• Topological Polar Surface Area (TPSA): 157.00 Ų
• XlogP: -2.20

Synonyms

• 37642-57-2
• C9H14N4O5
• NCGC00096051-02
• 5-Amino-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide
• NCIOpen2_007316
• 5-Amino-1-.beta.-D-ribofuranosyl-1H-imidazole-4-carboxamide
• CHEMBL1527089
• SCHEMBL14520658
• CHEBI:125449
• RTRQQBHATOEIAF-UHFFFAOYSA-N
• HMS3655O12
• HMS3865N13
• 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
• ALBB-030598
• NSC117661
• AKOS016339792
• AS-2056
• CCG-208070
• NSC-117661
• SB16556
• NCGC00096051-01
• SY005001
• 5-Aminoimidazole-4-carboxamide 1-ss-D-ribofuranoside
• BRD-A81585303-001-01-1
• Q27216066
• 5-Amino-1-.beta.-ribofuranosyl-imidazole-4-carboxamide
• 5-Amino-1.beta.-D-ribofuranosylimidazole-4-carboxyamide
• Imidazole-4-carboxamide, 5-amino-1-.beta.-D-ribofuranosyl-
• 5-Amino-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxamide
• 5-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)imidazole-4-carboxamide
• 5-Amino-1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
• 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
• 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.55%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.74%	91.11%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	84.41%	98.46%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.78%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.99%	89.00%
CHEMBL3589	P55263	Adenosine kinase	82.98%	98.05%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	82.00%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	81.29%	94.73%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	80.68%	80.33%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.46%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.04%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 266934
• LOTUS: LTS0124531
• wikiData: Q27216066