Compound Detail
CHEMBL1969046
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Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1969046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUWHEBZPTCVEMQ-SZXQPVLSSA-N |
16
Targets
19
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.37
ALogP
5
HBA
2
HBD
112.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 6.09
EC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.09 | 6.09 | 819.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.04 | 6.04 | 919.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 5.6733 | 973.0 | 3 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.59 | 5.59 | 2575.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.39 | 5.39 | 4110.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.07 | 5.015 | 8600.0 | 2 |
| Caspase-3 CHEMBL2334 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.91 | 4.91 | 12272.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.57 | 4.57 | 27075.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.5 | 4.5 | 31700.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.36 | 4.36 | 43500.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.16 | 4.16 | 68583.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine