Compound Detail
CHEMBL1373210
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Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL1373210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXYIXQGHGKYZLG-PXNMLYILSA-N |
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.3
MW (Da)
4.44
ALogP
6
HBA
2
HBD
113.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.22 | 6.155 | 596.0 | 2 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.6 | 5.6 | 2503.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.4 | 5.395 | 3950.0 | 2 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.09 | 4.98 | 8110.0 | 2 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine