Compound Detail
CHEMBL1315948
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Basic Information
| ChEMBL ID | CHEMBL1315948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQOXWTWXGDCHGV-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1617450 |
| Active Moiety | CHEMBL1617450 |
10
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
6.70
ALogP
3
HBA
1
HBD
28.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 5.87
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.87 | 5.52 | 1355.0 | 3 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.5 | 5.5 | 3124.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.45 | 5.45 | 3578.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.34 | 5.34 | 4596.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.21 | 5.17 | 6220.0 | 2 |
| CHO CHEMBL613853 | IC50 | 5.17 | 5.17 | 6785.0 | 1 |
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.04 | 5.04 | 9079.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.03 | 5.03 | 9380.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.99 | 4.99 | 10350.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 4.85 | 4.85 | 14159.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.38 | 4.38 | 41290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine