Compound Detail
CHEMBL161137
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CC1CCN(c2cc(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1
Basic Information
| ChEMBL ID | CHEMBL161137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIIMYXRFJKRBLA-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
7.03
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 7.4 | nM | 8.13 | 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