Compound Detail
CHEMBL152448
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Basic Information
| ChEMBL ID | CHEMBL152448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KACVHRHMKPRXFN-QURGRASLSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
4.02
ALogP
6
HBA
2
HBD
86.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6667 | hr | - |
| T1/2 | 1.167 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 110.0 | nM | 6.96 | Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK) | 14640561 |
| NIH3T3 | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of serum stimulated NIH3T3 cell proliferation | 14640561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640561 | 10.1021/jm030423m | ADMET | 2 |
| 14640561 | 10.1021/jm030423m | NON-PROTEIN TARGET | 2 |
| 14640561 | 10.1021/jm030423m | Epidermal growth factor receptor | 1 |
| 14640561 | 10.1021/jm030423m | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine