Compound Detail
CHEMBL4533640
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Basic Information
| ChEMBL ID | CHEMBL4533640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACXDOBWOZOFUFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
4.43
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 2.87 | nM | 8.54 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 30605831 |
| Mitogen-activated protein kinase 1 | IC50 | = | 3.5 | nM | 8.46 | 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 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | K562 | 1 |
Data from ChEMBL 36 via Core Engine