Compound Detail
CHEMBL4589941
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Basic Information
| ChEMBL ID | CHEMBL4589941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNFPSVNCJXGVOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
5.09
ALogP
6
HBA
0
HBD
61.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NIH3T3 CHEMBL614822 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NIH3T3 | IC50 | = | 610.0 | nM | 6.21 | Cytotoxicity against mouse 3T3 cells | 31112894 |
| Beta-glucuronidase | IC50 | = | 850.0 | nM | 6.07 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | NIH3T3 | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine