Compound Detail
CHEMBL2000196
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Basic Information
| ChEMBL ID | CHEMBL2000196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBPOWEVMSNKZCM-ZCXUNETKSA-N |
9
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.65
ALogP
4
HBA
0
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.72
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2510.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.46 | 5.46 | 3460.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.42 | 5.42 | 3790.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.34 | 5.21 | 4550.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.29 | 5.29 | 5130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 4.81 | 6500.0 | 4 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.12 | 5.12 | 7665.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 4.48 | 4.48 | 33380.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.38 | 4.38 | 42200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine