1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-

Details

• Internal ID: 7cb9f2e8-2b4c-484c-8adf-03d92a088b24
• Taxonomy: Nucleosides, nucleotides, and analogues > Imidazole ribonucleosides and ribonucleotides > 1-ribosyl-imidazolecarboxamides
• IUPAC Name: [5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• SMILES (Canonical): C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
• SMILES (Isomeric): C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
• InChI: InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)
• InChI Key: NOTGFIUVDGNKRI-UHFFFAOYSA-N
• Popularity: 897 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₅N₄O₈P
• Molecular Weight: 338.21 g/mol
• Exact Mass: 338.06275045 g/mol
• Topological Polar Surface Area (TPSA): 203.00 Ų
• XlogP: -3.80

Synonyms

• [5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• Imidazole-4-carboxamide, 5'-(dihydrogen phosphate)
• NSC-283955
• NSC-292227
• 1H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-
• SCHEMBL1230589
• SCHEMBL20134003
• SCHEMBL20276955
• CHEBI:93885
• DTXSID50863081
• BDBM526262
• NSC283955
• NSC292227
• AKOS030242258
• FT-0620013
• US11185100, TABLE 14.2
• BRD-A67373739-001-01-4
• Q27165640
• 5'-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL
• 5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide
• [5-(5-amino-4-carbamoyl-1-imidazolyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
• 132069-10-4

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	98.96%	96.09%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	95.14%	80.33%
CHEMBL3401	O75469	Pregnane X receptor	88.57%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.69%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.63%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.39%	99.17%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	82.77%	87.67%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.60%	89.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.33%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.64%	95.89%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.75%	93.65%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 200
• LOTUS: LTS0275820
• wikiData: Q27165640