Compound Detail
CHEMBL5559981
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Cc1cccc(-c2[nH]c(C34CCC(C(N)=O)(CC3)CC4)nc2-c2ccc3c(c2)OCO3)n1
Basic Information
| ChEMBL ID | CHEMBL5559981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUHTXZGCTPDXRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.25
ALogP
5
HBA
2
HBD
103.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine