Compound Detail
CHEMBL106442
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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(P(=O)(O)CP(=O)(O)O)c3)nc21
Basic Information
| ChEMBL ID | CHEMBL106442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVTGFEDSQVZGNK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.2
MW (Da)
4.08
ALogP
7
HBA
4
HBD
154.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 77.0 | nM | 7.11 | Inhibition of Src protein tyrosine kinase | 12941336 |
| Oryctolagus cuniculus | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of rabbit-osteoclast mediated resorption of dentine slices | 12941336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941336 | 10.1016/s0960-894x(03)00649-8 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 12941336 | 10.1016/s0960-894x(03)00649-8 | Oryctolagus cuniculus | 1 |
| 12941336 | 10.1016/s0960-894x(03)00649-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine