Compound Detail
CHEMBL4116552
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Basic Information
| ChEMBL ID | CHEMBL4116552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCKTWBJEXJWFHY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.64
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 6.32 | 6.32 | 480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.3 | nM | 8.64 | Inhibition of EGFR (unknown origin) | 35311289 |
| Tubulin | IC50 | = | 480.0 | nM | 6.32 | Inhibition of tubulin assembly (unknown origin) | 33705908 |
| Tubulin | IC50 | = | 480.0 | nM | 6.32 | Inhibition of tubulin polymerization (unknown origin) | 35311289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33705908 | 10.1016/j.bmcl.2021.127923 | Tubulin | 3 |
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Epidermal growth factor receptor | 1 |
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine