Compound Detail
CHEMBL1563898
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Basic Information
| ChEMBL ID | CHEMBL1563898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZULBKXYQNMBEJG-UHFFFAOYSA-N |
9
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
3.59
ALogP
7
HBA
3
HBD
134.0
PSA (Ų)
0.21
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 5.97
IC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.97 | 5.3433 | 1073.0 | 3 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.82 | 5.82 | 1522.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 5.79 | 5.79 | 1640.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.14 | 4.6433 | 7230.0 | 3 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.1 | 5.1 | 7937.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.03 | 4.99 | 9355.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.99 | 4.99 | 10172.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL3964 | IC50 | 4.17 | 4.17 | 67500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine