Compound Detail
CHEMBL4565941
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Basic Information
| ChEMBL ID | CHEMBL4565941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHLACHIKRYAJCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
10
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NRK-49F CHEMBL614203 | IC50 | 5.37 | 5.37 | 4310.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1385.24 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1104.95 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 107.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 836.09 | nM | Rattus norvegicus |
| Cmax | 197.47 | nM | Rattus norvegicus |
| F | 39.88 | % | Rattus norvegicus |
| T1/2 | 7.42 | hr | Rattus norvegicus |
| T1/2 | 13.09 | hr | Rattus norvegicus |
| Tmax | 2.68 | hr | Rattus norvegicus |
| Tmax | 0.63 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NRK-49F | IC50 | = | 4310.0 | nM | 5.37 | Inhibition of TGF-beta-induced collagen accumulation in rat NRK-49F cells incuba... | 31699535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31699535 | 10.1016/j.ejmech.2019.111790 | Mus musculus | 20 |
| 31699535 | 10.1016/j.ejmech.2019.111790 | ADMET | 11 |
| 31699535 | 10.1016/j.ejmech.2019.111790 | NRK-49F | 4 |
| 31699535 | 10.1016/j.ejmech.2019.111790 | Transforming growth factor beta-1 proprotein/Smad3 | 3 |
| 31699535 | 10.1016/j.ejmech.2019.111790 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine