Compound Detail
CHEMBL4763834
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Basic Information
| ChEMBL ID | CHEMBL4763834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBHMHNJMLULEOJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
6.08
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 5.98 | 754.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin... | 32931277 |
| Unchecked | IC50 | = | 754.0 | nM | 6.12 | Inhibition of HER2-A775_G776insYVMA mutant (unknown origin) expressed in mouse B... | 32931277 |
| Unchecked | IC50 | = | 1442.0 | nM | 5.84 | Inhibition of C-terminal His6-tagged HER2-A775_G776insYVMA mutant (703 to 1029 r... | 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