Compound Detail
CHEMBL599863
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Basic Information
| ChEMBL ID | CHEMBL599863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKIQXUYTWFNMTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.3
MW (Da)
4.86
ALogP
6
HBA
3
HBD
105.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.37 | nM | 9.43 | Inhibition of human recombinant EGFR expressed in insect cells by time-resolved ... | 20151670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151670 | 10.1021/jm901558p | Epidermal growth factor receptor | 5 |
Data from ChEMBL 36 via Core Engine