Compound Detail
CHEMBL194503
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Basic Information
| ChEMBL ID | CHEMBL194503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALIWWFTJCTOQR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
7.00
ALogP
6
HBA
1
HBD
61.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.06 | 7.235 | 8.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.8 | nM | 8.06 | Inhibition of Src protein tyrosine kinase in LANCE format enzyme assay | 15916442 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 390.0 | nM | 6.41 | Inhibition of c-Src transformed rat fibroblast proliferation | 15916442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916442 | 10.1021/jm050175p | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine