Compound Detail
CHEMBL91428
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Basic Information
| ChEMBL ID | CHEMBL91428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWVXDJSEKDRXKV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.94
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.18 | 6.135 | 660.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 660.0 | nM | 6.18 | Tested for inhibition of Epidermal growth factor receptor from A431 vulval squam... | - |
| Epidermal growth factor receptor | IC50 | = | 810.0 | nM | 6.09 | Inhibition of EGF-stimulated proliferation of KB cells in culture | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10059-2 | Epidermal growth factor receptor | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine