Compound Detail
CHEMBL1350780
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Basic Information
| ChEMBL ID | CHEMBL1350780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEAKWKSISFROGX-UHFFFAOYSA-N |
8
Targets
16
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
4.36
ALogP
5
HBA
1
HBD
67.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 7.17
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.17 | 7.17 | 68.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.37 | 5.8867 | 430.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.21 | 5.06 | 619.0 | 4 |
| Streptococcus CHEMBL612313 | EC50 | 5.6 | 5.6 | 2532.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.5 | 5.39 | 3148.0 | 2 |
| BJ CHEMBL614358 | EC50 | 5.43 | 5.1233 | 3726.0 | 3 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.23 | 5.23 | 5920.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.66 | 4.66 | 21950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine