Compound Detail
CHEMBL291514
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Basic Information
| ChEMBL ID | CHEMBL291514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFIRBZOPPUFQRQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
5.43
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| KB 3-1 CHEMBL614590 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 79.0 | nM | 7.1 | In vitro inhibitory activity against Epidermal growth factor receptor (EGFR-TK) ... | 11459659 |
| KB 3-1 | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibitory activity against EGF-stimulated proliferation of KB2 cells i... | 11459659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459659 | 10.1016/s0960-894x(01)00344-4 | Mus musculus | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 11459659 | 10.1016/s0960-894x(01)00344-4 | Epidermal growth factor receptor | 1 |
| 11459659 | 10.1016/s0960-894x(01)00344-4 | KB 3-1 | 1 |
Data from ChEMBL 36 via Core Engine