Compound Detail
CHEMBL4287261
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Basic Information
| ChEMBL ID | CHEMBL4287261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTRCSEWMUACLSF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.63
ALogP
4
HBA
0
HBD
54.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.89 | 5.89 | 1288.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL3099 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1288.0 | nM | 5.89 | Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate... | 28135685 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as subs... | 28135685 |
| K562 | IC50 | = | 77000.0 | nM | 4.11 | Cytotoxicity against human K562 cells assessed as decrease in cell proliferation... | 28135685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28135685 | 10.1016/j.ejmech.2017.01.018 | TGF-beta receptor type-1 | 1 |
| 28135685 | 10.1016/j.ejmech.2017.01.018 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 28135685 | 10.1016/j.ejmech.2017.01.018 | Tyrosine-protein kinase ABL1 | 1 |
| 28135685 | 10.1016/j.ejmech.2017.01.018 | K562 | 1 |
| 28135685 | 10.1016/j.ejmech.2017.01.018 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine