Compound Detail
CHEMBL5194719
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Basic Information
| ChEMBL ID | CHEMBL5194719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYRFZTFZPZDGIF-PQMHYQBVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.3
MW (Da)
6.91
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 10.26 | 10.26 | 0.1 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 0.0551 | nM | 10.26 | Inhibition of tubulin polymerization (unknown origin) measured every 3 secs for ... | 35311289 |
| Epidermal growth factor receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of EGFR (unknown origin) | 35311289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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