Compound Detail
CHEMBL1424189
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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1424189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQDEOJNULNBPG-UHFFFAOYSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
2.92
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.38 | 6.33 | 419.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.68 | 5.5167 | 2080.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.56 | 5.49 | 2740.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.08 | 5.08 | 8420.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.38 | 4.38 | 41367.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine