Compound Detail
CHEMBL175434
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Basic Information
| ChEMBL ID | CHEMBL175434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIHFBNUDSJVTRQ-UHFFFAOYSA-N |
11
Targets
16
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.55
ALogP
5
HBA
2
HBD
106.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.68
EC50 3 meas. best 6.18
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.18 | 6.18 | 667.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.68 | 5.35 | 2110.0 | 2 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.54 | 5.54 | 2890.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.1733 | 4852.0 | 3 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.3 | 5.3 | 4960.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.25 | 5.25 | 5588.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.1 | 5.1 | 7930.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 4.84 | 8454.0 | 2 |
| Caspase-3 CHEMBL2334 | IC50 | 5.01 | 5.01 | 9750.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.41 | 4.41 | 38859.0 | 1 |
| Macrophage migration inhibitory factor homologue CHEMBL2176864 | Ki | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715473 | 10.1021/jm049332v | Prostaglandin G/H synthase 2 | 1 |
| 15715473 | 10.1021/jm049332v | Prostaglandin G/H synthase 1 | 1 |
| 23067344 | 10.1021/jm301269s | Macrophage migration inhibitory factor homologue | 1 |
Data from ChEMBL 36 via Core Engine