Compound Detail
CHEMBL604914
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Basic Information
| ChEMBL ID | CHEMBL604914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVYNTVJFQWLDL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.3
MW (Da)
5.15
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.03 | 7.23 | 9.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 9.25 | nM | 8.03 | Inhibition of human recombinant EGFR expressed in insect cells by time-resolved ... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 76.0 | nM | 7.12 | Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by Western... | 20151670 |
| Epidermal growth factor receptor | IC50 | = | 292.0 | nM | 6.54 | Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by Wester... | 20151670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151670 | 10.1021/jm901558p | Epidermal growth factor receptor | 5 |
Data from ChEMBL 36 via Core Engine