3-(4-amino-2-bromo-pyrimidin-5-yl)-1H-indol-4-ol
| Internal ID | 8882d678-d6fd-46bf-8a21-c6c3ac90c8ee |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles |
| IUPAC Name | 3-(4-amino-2-bromopyrimidin-5-yl)-1H-indol-4-ol |
| SMILES (Canonical) | C1=CC2=C(C(=C1)O)C(=CN2)C3=CN=C(N=C3N)Br |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O)C(=CN2)C3=CN=C(N=C3N)Br |
| InChI | InChI=1S/C12H9BrN4O/c13-12-16-5-7(11(14)17-12)6-4-15-8-2-1-3-9(18)10(6)8/h1-5,15,18H,(H2,14,16,17) |
| InChI Key | CXLPBBKWDIYIPK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H9BrN4O |
| Molecular Weight | 305.13 g/mol |
| Exact Mass | 303.99597 g/mol |
| Topological Polar Surface Area (TPSA) | 87.80 Ų |
| XlogP | 2.30 |
| Psammopemmin A |
| BDBM50353901 |
| 3-(4-amino-2-bromo-pyrimidin-5-yl)-1H-indol-4-ol |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.18% | 94.75% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 96.79% | 91.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.14% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.24% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.22% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.60% | 85.30% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 91.58% | 82.86% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.44% | 97.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.18% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.83% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.39% | 92.94% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.01% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.90% | 91.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.87% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.69% | 88.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.47% | 90.24% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 87.97% | 95.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.83% | 96.39% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.86% | 95.56% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 84.73% | 93.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.02% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.54% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.47% | 96.67% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 81.37% | 88.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.13% | 94.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.85% | 95.89% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 15011772 |
| LOTUS | LTS0071246 |
| wikiData | Q104971903 |