Compound Detail
CHEMBL419360
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(=O)(O)CP(=O)(O)O)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL419360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCOCJRZULOAWPU-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 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Src protein tyrosine kinase | 12941336 |
| Oryctolagus cuniculus | IC50 | = | 3000.0 | nM | 5.52 | 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 | 2 |
| 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