Compound Detail
CHEMBL554983
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Basic Information
| ChEMBL ID | CHEMBL554983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBFMRMXLCQBKKM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195610 |
| Active Moiety | CHEMBL1195610 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.2
MW (Da)
4.57
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.14 | 7.085 | 72.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 72.0 | nM | 7.14 | Concentration needed to inhibit the phosphorylation of a 14-residue fragment of ... | 10639288 |
| Epidermal growth factor receptor | IC50 | = | 93.0 | nM | 7.03 | Inhibition of Epidermal growth factor receptor autophosphorylation in A431 cells | 10639288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639288 | 10.1021/jm9903949 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine