Compound Detail
CHEMBL3194086
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Basic Information
| ChEMBL ID | CHEMBL3194086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKNWWFXZRIJCFI-UHFFFAOYSA-N |
10
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.60
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 5.72
EC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.72 | 5.21 | 1900.0 | 2 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.63 | 5.63 | 2340.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.45 | 5.3167 | 3586.0 | 3 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.42 | 5.42 | 3840.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.18 | 5.18 | 6561.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.11 | 5.11 | 7860.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.91 | 4.84 | 12400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine