Compound Detail
CHEMBL5276251
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Basic Information
| ChEMBL ID | CHEMBL5276251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAWMJDAKJNNOCE-DHZHZOJOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
6.90
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Tubulin beta CHEMBL3832942 | IC50 | 5.26 | 5.26 | 5510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of EGFR (unknown origin) phosphorylation by ELISA | 34450497 |
| Tubulin beta | IC50 | = | 5510.0 | nM | 5.26 | Inhibition of beta-tubulin polymerization (unknown origin) measured every 3 secs... | 34450497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34450497 | 10.1016/j.ejmech.2021.113768 | Epidermal growth factor receptor | 1 |
| 34450497 | 10.1016/j.ejmech.2021.113768 | Tubulin beta | 1 |
Data from ChEMBL 36 via Core Engine