4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
| Internal ID | 6defbbf5-9248-4d22-bc13-68a409a160ba |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles |
| IUPAC Name | 4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3 |
| InChI Key | RBWNFHXBUDPAIO-UHFFFAOYSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C21H22FN3 |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.17977588 g/mol |
| Topological Polar Surface Area (TPSA) | 31.90 Ų |
| XlogP | 3.60 |
| MBP146-78 |
| Pyridine, 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrrol-3-yl]- |
| 4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine |
| CHEMBL190228 |
| MMV688703 |
| 4-(2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl)pyridine |
| 4-[2-(4-Fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl]pyridine |
| SCHEMBL3290870 |
| DTXSID30333333 |
| BCP29592 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.93% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 98.43% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.25% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.85% | 93.40% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 95.43% | 85.49% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 95.24% | 93.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 94.83% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.80% | 98.59% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 93.52% | 95.72% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.94% | 91.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.06% | 95.93% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.54% | 92.68% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.32% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.78% | 82.69% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 89.70% | 99.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.35% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.02% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.96% | 92.97% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.91% | 95.78% |
| CHEMBL2828 | P48730 | Casein kinase I delta | 87.90% | 93.08% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.88% | 80.96% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.84% | 85.11% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 87.59% | 82.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.43% | 94.75% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 86.41% | 93.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.28% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.98% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.85% | 95.53% |
| CHEMBL3116 | P50750 | Cyclin-dependent kinase 9 | 85.76% | 96.31% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 85.73% | 98.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.51% | 90.17% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.36% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.11% | 93.99% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.99% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.74% | 95.12% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.26% | 97.53% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.16% | 93.65% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.04% | 99.18% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.96% | 93.10% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.92% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.88% | 91.71% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.17% | 96.69% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.16% | 96.47% |
| CHEMBL2163176 | P41229 | Lysine-specific demethylase 5C | 83.07% | 93.00% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 82.92% | 99.23% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.37% | 90.24% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.75% | 92.50% |
| CHEMBL5903 | Q04771 | Activin receptor type-1 | 81.68% | 89.93% |
| CHEMBL4937 | P49674 | Casein kinase I epsilon | 81.35% | 92.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.02% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.01% | 95.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.55% | 90.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.40% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.00% | 85.14% |
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 | 500899 |
| LOTUS | LTS0208868 |
| wikiData | Q82098545 |