Compound Detail
CHEMBL225930
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Basic Information
| ChEMBL ID | CHEMBL225930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFZQAVCLGQSQOZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.9
MW (Da)
7.01
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.92 | 4.74 | 11950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of EGFR tyrosine kinase expressed in A431 cells | 17472358 |
| DU-145 | IC50 | = | 4700.0 | nM | 5.33 | Growth inhibition of human DU145 cells after 3 days by SRB assay | 17472358 |
| NIH3T3 | IC50 | = | 11950.0 | nM | 4.92 | Inhibition of serum-stimulated growth of NIH3T3 cells transfected with HER14 aft... | 17472358 |
| NIH3T3 | IC50 | = | 27560.0 | nM | 4.56 | Inhibition of serum-stimulated growth of NIH3T3 cells after 3 days by SRB assay | 17472358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17472358 | 10.1021/jm070144p | NIH3T3 | 2 |
| 17472358 | 10.1021/jm070144p | Epidermal growth factor receptor | 1 |
| 17472358 | 10.1021/jm070144p | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine