Compound Detail
CHEMBL4519399
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3CC(C)(C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4519399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIKSTUGKGNVVNT-QOEOITBWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
807.9
MW (Da)
2.55
ALogP
8
HBA
4
HBD
186.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit CHEMBL1932910 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent Clp protease proteolytic subunit | EC50 | = | 2300.0 | nM | 5.64 | Activation of Staphylococcus aureus ClpP using BODIPY-FL-casein as substrate inc... | - |
| ATP-dependent Clp protease proteolytic subunit | IC50 | = | 12700.0 | nM | 4.9 | Displacement of ADEP2591 from Staphylococcus aureus ClpP expressed in Escherichi... | - |
Data from ChEMBL 36 via Core Engine