Compound Detail
CHEMBL314568
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Basic Information
| ChEMBL ID | CHEMBL314568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQJRUAUOHVDMMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
8.18
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 180.0 | nM | 6.75 | In vitro inhibition of c-src tyrosine kinase. | 11078204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11078204 | 10.1016/s0960-894x(00)00493-5 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine