Compound Detail
CHEMBL3134048
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Basic Information
| ChEMBL ID | CHEMBL3134048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVPJJGQXCHEJQD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.25
ALogP
7
HBA
0
HBD
74.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.34 | 4.2033 | 46000.0 | 3 |
| No relevant target CHEMBL2362975 | EC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 46000.0 | nM | 4.34 | Cytotoxicity against human THLE cells assessed as ATP depletion after 4 hrs by C... | - |
| NON-PROTEIN TARGET | EC50 | = | 68000.0 | nM | 4.17 | Cytotoxicity against human THLE cells assessed as ATP depletion after 72 hrs by ... | - |
| No relevant target | EC50 | = | 70000.0 | nM | 4.16 | Induction of ROS generation assessed as generation of H2O2 measured as oxidation... | - |
| NON-PROTEIN TARGET | EC50 | = | 79000.0 | nM | 4.1 | Cytotoxicity against human THLE cells assessed as ATP depletion after 24 hrs by ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00149K | NON-PROTEIN TARGET | 4 |
| - | 10.1039/C3MD00149K | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine