Compound Detail
CHEMBL159698
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C[C@H](Nc1nccc(-c2cc(N3CCCCC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL159698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZQMZQPCSYFLOE-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
6.78
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.7 | 7.7 | 20.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 20.1 | nM | 7.7 | Inhibition of Mitogen-activated protein kinase p38 | 11844702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844702 | 10.1016/s0960-894x(01)00834-4 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine