Compound Detail
CHEMBL3195410
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CCc1ccc(S(=O)(=O)/N=C2\C=C(Nc3ccc(C(=O)O)cc3)C(=O)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL3195410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQGQFSTZZPLSSR-HPNDGRJYSA-N |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
112.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.01
EC50 4 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.91 | 6.91 | 124.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.35 | 6.35 | 444.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.35 | 6.35 | 451.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.01 | 6.01 | 966.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.2 | 5.2 | 6259.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.19 | 5.175 | 6500.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine