N(1)-(5-phospho-D-ribosyl)glycinamide
| Internal ID | eb498b0d-f335-4e54-b43e-88c2ea95a2db |
| Taxonomy | Nucleosides, nucleotides, and analogues > Glycinamide ribonucleotides |
| IUPAC Name | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)(O)O |
| SMILES (Isomeric) | C([C@@H]1[C@H]([C@H](C(O1)NC(=O)CN)O)O)OP(=O)(O)O |
| InChI | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 |
| InChI Key | OBQMLSFOUZUIOB-HJZCUYRDSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C7H15N2O8P |
| Molecular Weight | 286.18 g/mol |
| Exact Mass | 286.05660244 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -6.80 |
| Atomic LogP (AlogP) | -3.38 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 6 |
| Rotatable Bonds | 5 |
| N-glycyl-5-O-phosphono-D-ribofuranosylamine |
| N-glycyl-D-ribofuranosylamine 5-(dihydrogen phosphate) |
| N1-(5-Phospho-D-ribosyl)glycinamide |
| 5-phosphoribosyl glycinamide |
| SCHEMBL851442 |
| CHEBI:18349 |
| DB02236 |
| [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.8601 | 86.01% |
| Caco-2 | - | 0.8842 | 88.42% |
| Blood Brain Barrier | - | 0.6000 | 60.00% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.4072 | 40.72% |
| OATP2B1 inhibitior | - | 0.8567 | 85.67% |
| OATP1B1 inhibitior | + | 0.9270 | 92.70% |
| OATP1B3 inhibitior | + | 0.9419 | 94.19% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9614 | 96.14% |
| P-glycoprotein inhibitior | - | 0.9273 | 92.73% |
| P-glycoprotein substrate | - | 0.9085 | 90.85% |
| CYP3A4 substrate | + | 0.5179 | 51.79% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8284 | 82.84% |
| CYP3A4 inhibition | - | 0.9591 | 95.91% |
| CYP2C9 inhibition | - | 0.8874 | 88.74% |
| CYP2C19 inhibition | - | 0.8621 | 86.21% |
| CYP2D6 inhibition | - | 0.9182 | 91.82% |
| CYP1A2 inhibition | - | 0.8827 | 88.27% |
| CYP2C8 inhibition | - | 0.9042 | 90.42% |
| CYP inhibitory promiscuity | - | 0.9757 | 97.57% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.8000 | 80.00% |
| Carcinogenicity (trinary) | Non-required | 0.5998 | 59.98% |
| Eye corrosion | - | 0.9709 | 97.09% |
| Eye irritation | - | 0.9814 | 98.14% |
| Skin irritation | - | 0.7488 | 74.88% |
| Skin corrosion | - | 0.9150 | 91.50% |
| Ames mutagenesis | - | 0.6300 | 63.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6373 | 63.73% |
| Micronuclear | + | 0.8400 | 84.00% |
| Hepatotoxicity | + | 0.5300 | 53.00% |
| skin sensitisation | - | 0.8371 | 83.71% |
| Respiratory toxicity | + | 0.5667 | 56.67% |
| Reproductive toxicity | + | 0.8000 | 80.00% |
| Mitochondrial toxicity | + | 0.8625 | 86.25% |
| Nephrotoxicity | - | 0.5963 | 59.63% |
| Acute Oral Toxicity (c) | III | 0.5500 | 55.00% |
| Estrogen receptor binding | + | 0.5810 | 58.10% |
| Androgen receptor binding | - | 0.7142 | 71.42% |
| Thyroid receptor binding | - | 0.4908 | 49.08% |
| Glucocorticoid receptor binding | + | 0.6381 | 63.81% |
| Aromatase binding | - | 0.6522 | 65.22% |
| PPAR gamma | + | 0.5995 | 59.95% |
| Honey bee toxicity | - | 0.7024 | 70.24% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.8000 | 80.00% |
| Fish aquatic toxicity | - | 0.9322 | 93.22% |
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 |
|---|---|---|---|---|
| CHEMBL5957 | P21589 | 5'-nucleotidase | 94.21% | 97.78% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.18% | 94.01% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.59% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.49% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.23% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.07% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.38% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.61% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.53% | 89.34% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.47% | 80.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.71% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.82% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.68% | 83.82% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.43% | 94.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.77% | 87.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.19% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.15% | 92.50% |
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.
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| There are no matching plants. |
| PubChem | 5459918 |
| LOTUS | LTS0275898 |
| wikiData | Q100600980 |