Compound Detail
CHEMBL4752410
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Basic Information
| ChEMBL ID | CHEMBL4752410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSEGOHMKRVRWOE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.45
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.415 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of ALK5 (unknown origin) using biotin-labelled KKKVLTQMGSPSIRCSpSVS s... | 34055221 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of TGFbeta-1-induced Smad3 phosphorylation in human Epi293F cells pre... | 34055221 |
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Activin A-induced Smad3 phosphorylation in human Epi293F cells pre... | 34055221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055221 | 10.1021/acsmedchemlett.0c00679 | Unchecked | 2 |
| 34055221 | 10.1021/acsmedchemlett.0c00679 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine