Compound Detail
CHEMBL3195749
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Basic Information
| ChEMBL ID | CHEMBL3195749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQTXZQUPJDPRBX-HKOYGPOVSA-N |
12
Targets
20
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.91
ALogP
7
HBA
1
HBD
101.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 6.01
EC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.68 | 7.68 | 20.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 5.684 | 980.0 | 5 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.9 | 5.175 | 1260.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 5.72 | 5.72 | 1886.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.44 | 5.44 | 3620.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.1 | 5.095 | 7965.0 | 2 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.56 | 4.4 | 27500.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.49 | 4.49 | 32330.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.38 | 4.38 | 41200.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.17 | 4.17 | 68400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine