Compound Detail
CHEMBL1414679
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CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(sc(=Cc3ccc(OCC(=O)O)cc3)c2=O)=N1
Basic Information
| ChEMBL ID | CHEMBL1414679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOSUGCLQHJKTCK-UHFFFAOYSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
3.30
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.52 | 6.465 | 304.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.01 | 5.5433 | 967.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.44 | 5.42 | 3630.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.26 | 5.26 | 5430.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.38 | 4.38 | 41833.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine