Compound Detail
CHEMBL3393605
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Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1
Basic Information
| ChEMBL ID | CHEMBL3393605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFRXAAWSVLQGDR-FNORWQNLSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.90
ALogP
7
HBA
3
HBD
112.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.37 | 5.37 | 4230.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.11 | 5.11 | 7780.0 | 2 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.11 | 5.11 | 7750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 4230.0 | nM | 5.37 | Inhibition of JNK2 (unknown origin) after 1 hr incubation | 25415535 |
| Mitogen-activated protein kinase 9 | IC50 | = | 4230.0 | nM | 5.37 | Inhibition of JNK2 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 10 | IC50 | = | 7750.0 | nM | 5.11 | Inhibition of JNK3 (unknown origin) after 1 hr incubation | 25415535 |
| Mitogen-activated protein kinase 8 | IC50 | = | 7780.0 | nM | 5.11 | Inhibition of JNK1 (unknown origin) after 1 hr incubation | 25415535 |
| Mitogen-activated protein kinase 8 | IC50 | = | 7780.0 | nM | 5.11 | Inhibition of JNK1 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 10 | IC50 | = | 7750.0 | nM | 5.11 | Inhibition of JNK3 (unknown origin) | 35200035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 8 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 9 | 1 |
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 8 | 1 |
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 10 | 1 |
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
Data from ChEMBL 36 via Core Engine