Compound Detail
CHEMBL482300
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C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C#N)c2)n1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL482300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTQIHXHFIGJWLO-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
6.24
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human recombinant p38alpha MAPK expressed in Escherichia coli by r... | 18571921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571921 | 10.1016/j.bmcl.2008.06.007 | TGF-beta receptor type-1 | 1 |
| 18571921 | 10.1016/j.bmcl.2008.06.007 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine