Compound Detail
CHEMBL4759178
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Basic Information
| ChEMBL ID | CHEMBL4759178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRUJAJBKJMHVCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
6.29
ALogP
5
HBA
3
HBD
91.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin... | 32931277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32931277 | 10.1021/acs.jmedchem.0c00870 | Unchecked | 3 |
| 32931277 | 10.1021/acs.jmedchem.0c00870 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine