Compound Detail
CHEMBL1448592
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Basic Information
| ChEMBL ID | CHEMBL1448592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPERNWXRUSFVPU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1198106 |
| Active Moiety | CHEMBL1198106 |
10
Targets
36
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
307.6
MW (Da)
5.79
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 19 meas. best 7.44
IC50 17 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.44 | 6.0267 | 36.0 | 9 |
| Jurkat CHEMBL397 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.76 | 5.735 | 1717.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.72 | 5.5433 | 1895.0 | 3 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.35 | 5.35 | 4470.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.33 | 5.2 | 4645.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.24 | 5.24 | 5780.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.21 | 4.7718 | 6200.0 | 11 |
| Protein RecA CHEMBL1741171 | EC50 | 5.07 | 5.04 | 8550.0 | 2 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.94 | 4.94 | 11387.5 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.68 | 4.665 | 21100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine