Compound Detail
CHEMBL1092764
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CN(C)CCCC(=O)Nc1cc(C(=O)O)cc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL1092764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHYSKDAWIUFROA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
5.61
ALogP
5
HBA
4
HBD
110.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.04 | 6.04 | 903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of JNK3 | 20146479 |
| Mitogen-activated protein kinase 8 | IC50 | = | 101.0 | nM | 7.0 | Inhibition of JNK1 | 20146479 |
| Mitogen-activated protein kinase 14 | IC50 | = | 903.0 | nM | 6.04 | Inhibition of p38alpha | 20146479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 10 | 1 |
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 8 | 1 |
| 20146479 | 10.1021/jm9003279 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine