Compound Detail
CHEMBL3892997
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COc1ncccc1NC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
Basic Information
| ChEMBL ID | CHEMBL3892997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGYLEFLOKAYSBT-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
5.23
ALogP
8
HBA
1
HBD
94.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.83 | 6.83 | 146.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 146.8 | nM | 6.83 | Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: An express... | - |
Data from ChEMBL 36 via Core Engine