Compound Detail
CHEMBL31276
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Basic Information
| ChEMBL ID | CHEMBL31276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFFPMIGCSMORHY-QPJJXVBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.3
MW (Da)
4.06
ALogP
6
HBA
2
HBD
93.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.72 | 8.395 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.9 | nM | 8.72 | Inhibition of peptide substrate phosphorylation by epidermal growth factor recep... | 15006373 |
| Epidermal growth factor receptor | IC50 | = | 8.6 | nM | 8.07 | Inhibition of epidermal growth factor receptor kinase autophosphorylation | 15006373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006373 | 10.1016/j.bmcl.2004.01.034 | Epidermal growth factor receptor | 2 |
| 15006373 | 10.1016/j.bmcl.2004.01.034 | A-431 | 1 |
| 15006373 | 10.1016/j.bmcl.2004.01.034 | SK-BR-3 | 1 |
| 15006373 | 10.1016/j.bmcl.2004.01.034 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine