Compound Detail
CHEMBL4779579
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Basic Information
| ChEMBL ID | CHEMBL4779579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFPBQDHLDQGUHW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.15
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Activin receptor type-2A CHEMBL5616 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 4.965 | 5400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-2 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIY... | 34055221 |
| Activin receptor type-2A | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of ACVR2A (unknown origin) using biotin- labelled KTLQDLVYDLSTSGSGSGL... | 34055221 |
| TGF-beta receptor type-1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of ALK5 (unknown origin) using biotin-labelled KKKVLTQMGSPSIRCSpSVS s... | 34055221 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of TGFbeta-1-induced Smad3 phosphorylation in human Epi293F cells pre... | 34055221 |
| Unchecked | IC50 | = | 22000.0 | nM | 4.66 | 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-2 | 1 |
| 34055221 | 10.1021/acsmedchemlett.0c00679 | Activin receptor type-2A | 1 |
| 34055221 | 10.1021/acsmedchemlett.0c00679 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine