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Faicar

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4b6d1e1b-1013-4e22-8b35-14bc74ebdc68
Taxonomy Nucleosides, nucleotides, and analogues > Imidazole ribonucleosides and ribonucleotides > 1-ribosyl-imidazolecarboxamides
IUPAC Name [(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
InChI Key ABCOOORLYAOBOZ-KQYNXXCUSA-N
Popularity 20 references in papers

Physical and Chemical Properties

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Molecular Formula C10H15N4O9P
Molecular Weight 366.22 g/mol
Exact Mass 366.05766507 g/mol
Topological Polar Surface Area (TPSA) 206.00 Ų
XlogP -4.00
Atomic LogP (AlogP) -2.72
H-Bond Acceptor 9
H-Bond Donor 6
Rotatable Bonds 7

Synonyms

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13018-54-7
phosphoribosyl formamidocarboxamide
5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide
KNY2D67FT5
CHEBI:18381
5-Formylamino-4-imidazolecarboxamide ribonucleotide
[(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide
5-(Formylamino)-1-(5-O-Phosphono-Beta-D-Ribofuranosyl)-1h-Imidazole-4-Carboxamide
{[(2R,3S,4R,5R)-5-(4-carbamoyl-5-formamido-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Faicar

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption - 0.7909 79.09%
Caco-2 - 0.8994 89.94%
Blood Brain Barrier + 0.7250 72.50%
Human oral bioavailability - 0.6857 68.57%
Subcellular localzation Mitochondria 0.4898 48.98%
OATP2B1 inhibitior - 1.0000 100.00%
OATP1B1 inhibitior + 0.9140 91.40%
OATP1B3 inhibitior + 0.9430 94.30%
MATE1 inhibitior - 0.9800 98.00%
OCT2 inhibitior - 0.9750 97.50%
BSEP inhibitior - 0.8147 81.47%
P-glycoprotein inhibitior - 0.8580 85.80%
P-glycoprotein substrate - 0.7667 76.67%
CYP3A4 substrate + 0.5549 55.49%
CYP2C9 substrate - 0.5985 59.85%
CYP2D6 substrate - 0.8762 87.62%
CYP3A4 inhibition - 0.9368 93.68%
CYP2C9 inhibition - 0.9028 90.28%
CYP2C19 inhibition - 0.8902 89.02%
CYP2D6 inhibition - 0.9083 90.83%
CYP1A2 inhibition - 0.8664 86.64%
CYP2C8 inhibition - 0.8013 80.13%
CYP inhibitory promiscuity - 0.9850 98.50%
UGT catelyzed - 0.7000 70.00%
Carcinogenicity (binary) - 0.8300 83.00%
Carcinogenicity (trinary) Non-required 0.5401 54.01%
Eye corrosion - 0.9843 98.43%
Eye irritation - 0.9544 95.44%
Skin irritation - 0.7493 74.93%
Skin corrosion - 0.9240 92.40%
Ames mutagenesis - 0.6900 69.00%
Human Ether-a-go-go-Related Gene inhibition - 0.6844 68.44%
Micronuclear + 0.9900 99.00%
Hepatotoxicity + 0.7106 71.06%
skin sensitisation - 0.8181 81.81%
Respiratory toxicity + 0.8889 88.89%
Reproductive toxicity + 0.9222 92.22%
Mitochondrial toxicity + 0.9625 96.25%
Nephrotoxicity - 0.8483 84.83%
Acute Oral Toxicity (c) III 0.6131 61.31%
Estrogen receptor binding + 0.5680 56.80%
Androgen receptor binding - 0.6800 68.00%
Thyroid receptor binding - 0.5283 52.83%
Glucocorticoid receptor binding - 0.6308 63.08%
Aromatase binding + 0.7105 71.05%
PPAR gamma + 0.5456 54.56%
Honey bee toxicity - 0.7026 70.26%
Biodegradation - 0.8000 80.00%
Crustacea aquatic toxicity - 0.7100 71.00%
Fish aquatic toxicity - 0.6335 63.35%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 98.53% 96.09%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 94.63% 80.33%
CHEMBL3401 O75469 Pregnane X receptor 92.68% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.23% 91.11%
CHEMBL5957 P21589 5'-nucleotidase 89.66% 97.78%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 88.52% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.13% 99.17%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 87.46% 87.67%
CHEMBL226 P30542 Adenosine A1 receptor 84.97% 95.93%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.07% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.95% 94.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.08% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 166760
LOTUS LTS0228108
wikiData Q2817110