Compound Detail
CHEMBL1405964
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CCCCn1c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
Basic Information
| ChEMBL ID | CHEMBL1405964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCZZEBZXVDWJBN-UHFFFAOYSA-N |
10
Targets
16
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
5.33
ALogP
7
HBA
1
HBD
111.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.3
EC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.1 | 7.1 | 80.1 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 6.3 | 6.07 | 500.0 | 3 |
| Plectin CHEMBL1293240 | IC50 | 5.8 | 5.8 | 1599.9 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.46 | 5.1 | 3433.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.45 | 5.45 | 3564.0 | 1 |
| SUMO E1/E2 CHEMBL3137290 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.125 | 5990.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.11 | 5.11 | 7833.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.92 | 4.92 | 12020.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.85 | 4.85 | 14144.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine