Compound Detail
CHEMBL1829504
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Basic Information
| ChEMBL ID | CHEMBL1829504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWKTUNHCMPHUCG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
2.72
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 6.05 | 6.05 | 882.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with lucifer... | 21783359 |
| Activin receptor type-1B | IC50 | = | 882.0 | nM | 6.05 | Inhibition of Activin A in human HEK293 cells transfected with luciferase and FA... | 21783359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21783359 | 10.1016/j.bmcl.2010.12.120 | TGF-beta receptor type-1 | 3 |
| 21783359 | 10.1016/j.bmcl.2010.12.120 | Activin receptor type-1B | 3 |
Data from ChEMBL 36 via Core Engine