Compound Detail
CHEMBL1766454
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Basic Information
| ChEMBL ID | CHEMBL1766454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIBBPQYEWNGIBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.78
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells | 21435890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21435890 | 10.1016/j.bmc.2011.03.008 | TGF-beta receptor type-1 | 2 |
| 21435890 | 10.1016/j.bmc.2011.03.008 | Mitogen-activated protein kinase 14 | 1 |
| 21435890 | 10.1016/j.bmc.2011.03.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine