Compound Detail
CHEMBL5181037
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5181037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSLMQLVFYXGOW-UYAOXDASSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
1.13
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.18 | 8.18 | 6.5 | 1 |
| HeLa CHEMBL399 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6.54 | nM | 8.18 | Inhibition of EGFR tyrosine kinase (unknown origin) | 34995690 |
| HeLa | IC50 | = | 1740.0 | nM | 5.76 | Antiproliferative activity against human HeLa cells assessed as cell growth inhi... | 34995690 |
| A-431 | IC50 | = | 6040.0 | nM | 5.22 | Antiproliferative activity against human A-431 cells overexpressing EGFR assesse... | 34995690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34995690 | 10.1016/j.bmcl.2021.128524 | A-431 | 2 |
| 34995690 | 10.1016/j.bmcl.2021.128524 | HeLa | 1 |
| 34995690 | 10.1016/j.bmcl.2021.128524 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine