Compound Detail
CHEMBL5590180
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O=C(CP(=O)(c1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cn1)NCCSc1ccccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5590180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUPKCTYTTCJUSH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
601.4
MW (Da)
5.76
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit CHEMBL3341578 | EC50 | 5.75 | 5.75 | 1790.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit CHEMBL6066826 | EC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 1790.0 | nM | 5.75 | Activation of N-terminal His-tagged recombinant Escherichia coli ClpP expressed ... | 39221504 |
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 4900.0 | nM | 5.31 | Activation of N-terminal His-tagged recombinant Neisseria gonorrhoeae ClpP expre... | 39221504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39221504 | 10.1021/acs.jmedchem.4c00773 | ATP-dependent Clp protease proteolytic subunit | 3 |
| 39221504 | 10.1021/acs.jmedchem.4c00773 | Unchecked | 1 |
| 39221504 | 10.1021/acs.jmedchem.4c00773 | ATP-dependent Clp protease proteolytic subunit, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine