Compound Detail
CHEMBL440160
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Basic Information
| ChEMBL ID | CHEMBL440160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHLUELBKABILP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.4
MW (Da)
5.27
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.42 | 7.6233 | 3.8 | 3 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3.8 | nM | 8.42 | Inhibition against Src kinase | 11689083 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3.8 | nM | 8.42 | Inhibitory activity against human c-Src Kinase was measured using ELISA assay | 11262092 |
| Rattus norvegicus | IC50 | = | 940.0 | nM | 6.03 | Ability to inhibit the proliferation of c-Src transformed rat fibroblasts growin... | 11689083 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 940.0 | nM | 6.03 | Inhibition of Src-transformed rat fibroblast proliferation in anchorage independ... | 11262092 |
| Tyrosine-protein kinase Fyn | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Fyn-transformed rat fibroblast proliferation in anchorage independ... | 11262092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262092 | 10.1021/jm000420z | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 11689083 | 10.1021/jm0102250 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11689083 | 10.1021/jm0102250 | Rattus norvegicus | 1 |
| 11262092 | 10.1021/jm000420z | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine