Compound Detail
CHEMBL4446834
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CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
Basic Information
| ChEMBL ID | CHEMBL4446834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIYFPOOZLADOLC-SFTDATJTSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
490.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
EC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | EC50 | 5.9 | 5.875 | 1270.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.0667 | 3000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit | IC50 | = | 900.0 | nM | 6.05 | Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP... | 32031798 |
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 1270.0 | nM | 5.9 | Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureu... | 32031798 |
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 1400.0 | nM | 5.85 | Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 ass... | 32031798 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human ClpP (57 to 277 residues) expressed in Escherichia coli BL2 ... | 32031798 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Pseudomonas aeruginosa ClpP1 expressed in Escherichia coli BL2 (DE... | 32031798 |
| Unchecked | IC50 | = | 69620.0 | nM | 4.16 | Inhibition of Staphylococcus aureus ClpXP expressed in Escherichia coli BL2 (DE3... | 32031798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32031798 | 10.1021/acs.jmedchem.9b01746 | Staphylococcus aureus | 19 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | ADMET | 14 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | ATP-dependent Clp protease proteolytic subunit | 11 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | Unchecked | 5 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | HeLa | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | HepG2 | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | 20S proteasome | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine