Compound Detail
CHEMBL3196451
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Basic Information
| ChEMBL ID | CHEMBL3196451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYTTUUGZACDZAR-NKFKGCMQSA-N |
9
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.43
ALogP
5
HBA
1
HBD
75.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.73
EC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.92 | 6.92 | 119.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.61 | 6.61 | 244.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.45 | 6.45 | 359.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.39 | 6.0667 | 405.1 | 3 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 6.34 | 6.34 | 453.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.55 | 5.5 | 2823.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.48 | 5.48 | 3297.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.29 | 4.29 | 50800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine