Compound Detail
CHEMBL312385
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Basic Information
| ChEMBL ID | CHEMBL312385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNMXFQDKFAKOJM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
5.14
ALogP
9
HBA
1
HBD
98.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.26 | 7.075 | 5.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5.5 | nM | 8.26 | In vitro inhibition of c-src tyrosine kinase. | 11078204 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of c-Src transformed Rat2 fibroblast cell proliferation in anchorage ... | 11078204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11078204 | 10.1016/s0960-894x(00)00493-5 | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine