Compound Detail
CHEMBL1203934
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Basic Information
| ChEMBL ID | CHEMBL1203934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRJSJRJCZKKXJR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL224013 |
| Active Moiety | CHEMBL224013 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
3.53
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.72 | 7.0733 | 19.1 | 3 |
| MCF7 CHEMBL387 | IC50 | 5.47 | 5.47 | 3375.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 19.1 | nM | 7.72 | Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3... | 16279804 |
| Epidermal growth factor receptor | IC50 | = | 51.0 | nM | 7.29 | Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyros... | 16279804 |
| Epidermal growth factor receptor | IC50 | = | 612.0 | nM | 6.21 | Inhibition of DNA synthesis in EGF-dependent human MCF10A cells assessed as [3H]... | 16279804 |
| MCF7 | IC50 | = | 3375.0 | nM | 5.47 | Inhibition of DNA synthesis in EGF-independent human MCF7 cells assessed as 3H]t... | 16279804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279804 | 10.1021/jm050607w | Epidermal growth factor receptor | 4 |
| 16279804 | 10.1021/jm050607w | No relevant target | 1 |
| 16279804 | 10.1021/jm050607w | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine