Compound Detail
CHEMBL4168810
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C[C@@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL4168810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMELOYOKMZBMRB-IAGOWNOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
3.98
ALogP
5
HBA
0
HBD
65.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of MAPK p38 (unknown origin) | 29133046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133046 | 10.1016/j.ejmech.2017.10.061 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine