Compound Detail
CHEMBL1542071
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Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccsc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1542071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBPBEYQEPZSXDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.11
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3C-like protease CHEMBL1293307 | IC50 | 5.54 | 5.54 | 2904.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3C-like protease | IC50 | = | 2904.0 | nM | 5.54 | PUBCHEM_BIOASSAY: QFRET-based dose response biochemical high throughput screenin... | - |
Data from ChEMBL 36 via Core Engine