Compound Detail
CHEMBL1311879
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Basic Information
| ChEMBL ID | CHEMBL1311879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKWJRBBUVAQOAC-UHFFFAOYSA-N |
9
Targets
16
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
4.36
ALogP
4
HBA
1
HBD
57.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 14 meas. best 5.59
IC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.59 | 5.59 | 2577.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.57 | 5.57 | 2666.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.56 | 5.545 | 2763.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.44 | 5.192 | 3594.0 | 5 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.01 | 5.01 | 9825.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.84 | 4.84 | 14500.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.6 | 4.6 | 25078.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine