Compound Detail
CHEMBL276014
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O=C(Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1)NN1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL276014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKGRXGCFSYBWFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
4.92
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.34 | 6.34 | 453.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 453.0 | nM | 6.34 | Inhibitory concentration against mitogen-activated protein kinase p38 alpha | 11354358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354358 | 10.1016/s0960-894x(01)00163-9 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine