Saicar

Details

• Internal ID: 38236c6f-bb68-402a-b004-4fbedd9bb1f9
• Taxonomy: Nucleosides, nucleotides, and analogues > Imidazole ribonucleosides and ribonucleotides > 1-ribosyl-imidazolecarboxamides
• IUPAC Name: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
• SMILES (Canonical): C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CC(=O)O)C(=O)O
• SMILES (Isomeric): C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
• InChI: InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
• InChI Key: NAQGHJTUZRHGAC-ZZZDFHIKSA-N
• Popularity: 52 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₉N₄O₁₂P
• Molecular Weight: 454.28 g/mol
• Exact Mass: 454.07370905 g/mol
• Topological Polar Surface Area (TPSA): 264.00 Ų
• XlogP: -4.30

Synonyms

• 3031-95-6
• Succino-AICAR
• K1PVR64RIF
• 5-Amino-4-imidazole-N-succinocarboxamide ribonucleotide
• 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole
• L-aspartic acid, N-[[5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-
• 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
• 1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
• (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate
• N-((5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl)carbonyl)-L-aspartic acid
• 5'-Phosphoribosyl-4-(N-succinocarbozamide)-5-aminoimidazole
• UNII-K1PVR64RIF
• SAICAriboside
• (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate
• SAICA riboside
• (S)-2-(5-amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido)succinate
• (S)-2-[5-Amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido]succinate
• (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
• N-{[5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid
• OK8
• 5'-Phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazole
• SAICAR [MI]
• bonylamino]butanedioic acid
• N-(5-Amino-1-beta-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate
• SCHEMBL73325
• SCHEMBL19469429
• CHEBI:18319
• DTXSID90184404
• (2S)-2-[5-amino-1-(5-O-phosphono-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid
• (2S)-2-[5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid
• BCP28964
• AKOS030242259
• N-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5'-Phosphate
• (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
• HY-126585
• Phosphoribosylaminoimidazolesuccinocarboxamide
• CS-0105784
• C04823
• J-017909
• Q3502778
• succinylaminoimidazolecarboxamide ribose-5'-phosphate
• 5-Amino-4-imidazole-N-succinocarbozamide ribonucleotide
• succinyl-5-aminoimidazole-4-carboxamide-1-ribose-5-phosphate
• N-(5-Amino-1-ribofuranosylimidazol-4-ylcarbonyl)aspartic acid 5'-phosphate
• N-[5-Amino-1-(5'-phosphoribofuranosyl)-4-imidazolecarbonyl]aspartate
• N-[5-Amino-1-(5'-phosphoribofuranosyl)-4-imidazolecarbonyl]aspartic acid
• (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinic acid
• (S)-2-(5-amino-1-(5-phospho-delta-ribosyl)imidazole-4-carboxamido)succinic acid
• L-N-[(5-amino-1-b-D-ribofuranosylimidazol-4-yl)carbonyl]-5'-(dihydrogen phosphate)
• L-N-[(5-amino-1-beta-delta-ribofuranosylimidazol-4-yl)carbonyl]-5'-(dihydrogen phosphate)
• N-[[5-Amino-1-(5-O-phosphono-b-D-ribofuranosyl)-1H-imidazoL-4-yl]carbonyl]-L-asparticacid
• Succino-AICAR; Succinyl-5-aminoimidazole-4-carboxamide-1-ribose-5'-phosphate
• (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car
• (2S)-2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid
• 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole' 1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
• Aspartic acid-N-[95-amino-1-B-D-ribofuranosylimidazol-4-yl)carbonyl]-5'-(dihydrogen phophate)-L-
• L-ASPARTIC ACID, N-((5-AMINO-1-(5-O-PHOSPHONO-.BETA.-D-RIBOFURANOSYL)-1H-IMIDAZOL-4-YL)CARBONYL)-
• N-[[5-Amino-1-(5-O-phosphono-b-D-ribofuranosyl)-1H-imidazoL-4-yl]carbonyl]-L-aspartic acid

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	98.85%	96.09%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	94.16%	80.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.77%	99.17%
CHEMBL3776	Q14790	Caspase-8	90.89%	97.06%
CHEMBL221	P23219	Cyclooxygenase-1	89.79%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	88.78%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.45%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.12%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.87%	94.45%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	83.80%	81.11%
CHEMBL226	P30542	Adenosine A1 receptor	82.70%	95.93%
CHEMBL3784	Q09472	Histone acetyltransferase p300	82.45%	93.33%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.80%	93.56%
CHEMBL2581	P07339	Cathepsin D	81.66%	98.95%
CHEMBL3663	P62993	Growth factor receptor-bound protein 2	80.89%	90.00%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	80.33%	87.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 160666
• LOTUS: LTS0133542
• wikiData: Q3502778