Compound Detail
CHEMBL5998280
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N#CC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
Basic Information
| ChEMBL ID | CHEMBL5998280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJDWTQSLWJVLMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.3
MW (Da)
6.04
ALogP
6
HBA
2
HBD
95.2
PSA (Ų)
0.43
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Double-strand break repair protein MRE11 CHEMBL3308929 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Double-strand break repair protein MRE11 | IC50 | = | 6000.0 | nM | 5.22 | HTS Assay: The conditions of the assay are as follows:Microplate type: 1536 Well... | - |
Data from ChEMBL 36 via Core Engine