Compound Detail
CHEMBL1714498
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Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccc(F)cc3)CC(=O)N12
Basic Information
| ChEMBL ID | CHEMBL1714498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVVVRLZIQOZMJB-CHRXXPTBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
4.61
ALogP
3
HBA
0
HBD
49.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 5.42 | 4.805 | 3830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoribonuclease toxin MazF | EC50 | = | 3830.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Endoribonuclease toxin MazF | EC50 | = | 63900.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Data from ChEMBL 36 via Core Engine