Compound Detail
CHEMBL3352881
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CC(C)(C)c1ccc(NC(=O)c2cn(CCN3CCOCC3)c3ccc(C(C)(C)C)cc3c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3352881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGXXOLWQUDMQQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.7
MW (Da)
5.18
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NRK-49F CHEMBL614203 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NRK-49F | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of TGF-beta1-induced total collagen accumulation in rat NRK-49F cells | 25467157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25467157 | 10.1016/j.bmcl.2014.10.071 | NRK-49F | 4 |
| 25467157 | 10.1016/j.bmcl.2014.10.071 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine