Compound Detail
CHEMBL401570
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL401570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKPQHFZUICCZHF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.69
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.84 | 7.49 | 14.3 | 3 |
| Transforming growth factor beta-1 proprotein/Mothers against decapentaplegic homolog 3 CHEMBL4296078 | IC50 | 7.15 | 7.15 | 70.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 14.3 | nM | 7.84 | Inhibition of GST tagged TbetaR-1 (unknown origin) in the presence of 33 P-gamma... | 32092587 |
| TGF-beta receptor type-1 | IC50 | = | 14.3 | nM | 7.84 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
| Transforming growth factor beta-1 proprotein/Mothers against decapentaplegic homolog 3 | IC50 | = | 70.51 | nM | 7.15 | Inhibition of TGF beta1/Smad3 signaling in mouse NIH/3T3 cells harboring CAGA pr... | 31606345 |
| TGF-beta receptor type-1 | IC50 | = | 162.0 | nM | 6.79 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells | 20472445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39018123 | 10.1021/acs.jmedchem.4c01183 | U2OS | 12 |
| 20472445 | 10.1016/j.bmc.2010.04.071 | TGF-beta receptor type-1 | 5 |
| 18262787 | 10.1016/j.bmcl.2008.01.084 | TGF-beta receptor type-1 | 3 |
| 20621731 | 10.1016/j.bmcl.2010.05.032 | TGF-beta receptor type-1 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 39018123 | 10.1021/acs.jmedchem.4c01183 | Unchecked | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31606345 | 10.1016/j.bmcl.2019.126695 | Unchecked | 1 |
| 31606345 | 10.1016/j.bmcl.2019.126695 | Transforming growth factor beta-1 proprotein/Mothers against decapentaplegic homolog 3 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34531950 | 10.1021/acsmedchemlett.1c00198 | Mus musculus | 1 |
| 32092587 | 10.1016/j.ejmech.2020.112154 | TGF-beta receptor type-1 | 1 |
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine