Compound Detail
CHEMBL3134047
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Basic Information
| ChEMBL ID | CHEMBL3134047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMBZFILOPYEJQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
0.85
ALogP
6
HBA
0
HBD
64.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.09
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.09 | 5.02 | 8200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of lipoxygenase in rat peritoneal cavity resident cells | 28734245 |
| NON-PROTEIN TARGET | EC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human THLE cells assessed as ATP depletion after 72 hrs by ... | - |
| NON-PROTEIN TARGET | EC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human THLE cells assessed as ATP depletion after 24 hrs by ... | - |
| NON-PROTEIN TARGET | EC50 | = | 10600.0 | nM | 4.97 | Cytotoxicity against human THLE cells assessed as ATP depletion after 4 hrs by C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00149K | NON-PROTEIN TARGET | 4 |
| 28734245 | 10.1016/j.ejmech.2017.07.009 | Rattus norvegicus | 2 |
| - | 10.1039/C3MD00149K | No relevant target | 1 |
| 28734245 | 10.1016/j.ejmech.2017.07.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine