Compound Detail
CHEMBL1897572
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CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4ccco4)cc3)ccc21
Basic Information
| ChEMBL ID | CHEMBL1897572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQHEDZIRLPDAI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
2.94
ALogP
5
HBA
2
HBD
108.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 5.47 | 5.0533 | 3350.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoribonuclease toxin MazF | EC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: SAR analysis of small molecule activators of the MazEF TA Syst... | - |
| Endoribonuclease toxin MazF | EC50 | = | 7010.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Endoribonuclease toxin MazF | EC50 | = | 29200.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Data from ChEMBL 36 via Core Engine