Compound Detail
CHEMBL102821
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Basic Information
| ChEMBL ID | CHEMBL102821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJYYJIKJRQVSND-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.29
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.57 | 600.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of c-erb B-2/HER2/neu receptor | 8105084 |
| Tyrosine-protein kinase Lck | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of p56lck autophosphorylation | 8105084 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of epidermal growth factor receptor (EGFR) | 8105084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8105084 | 10.1021/jm00072a022 | Unchecked | 2 |
| 8105084 | 10.1021/jm00072a022 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine