Compound Detail
CHEMBL1417070
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Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(C(=O)O)cc1)N2
Basic Information
| ChEMBL ID | CHEMBL1417070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWNZEBNZUMPJOU-UHFFFAOYSA-N |
7
Targets
17
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
5.97
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 17 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.41 | 4.7133 | 3930.0 | 3 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.3 | 5.3 | 5020.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.18 | 5.18 | 6538.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.8 | 4.4733 | 15800.0 | 9 |
| SUMO E1/E2 CHEMBL3137290 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.29 | 4.29 | 50793.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine