Compound Detail
CHEMBL501431
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CCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)ccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL501431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNCYZGYEGOTFEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
4.47
ALogP
6
HBA
2
HBD
90.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 2000.0 | nM | 5.7 | Displacement of fluorescent ATP competitive ligand from p38alpha | 18789685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18789685 | 10.1016/j.bmcl.2008.08.051 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine