Compound Detail
CHEMBL4435679
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Cn1cc(Nc2nccc(-c3ccc4c(c3)C(=O)N([C@H](CO)c3cccc(Cl)c3)C4)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL4435679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPOZAQHOAURPCX-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
3.96
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of ERK2 (unknown origin) using lipid as substrate after 40 mins by AD... | 30605831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30605831 | 10.1016/j.ejmech.2018.12.040 | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine