Compound Detail
CHEMBL1407368
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COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL1407368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVKWYVRJCVWPCV-MFOYZWKCSA-N |
7
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.9
MW (Da)
3.80
ALogP
7
HBA
2
HBD
122.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.59 | 6.59 | 256.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 12 CHEMBL3236 | IC50 | 6.5 | 6.5 | 313.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 6.09 | 5.955 | 803.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.93 | 5.6167 | 1180.0 | 3 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.21 | 5.21 | 6238.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.18 | 4.65 | 6660.0 | 2 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.16 | 5.16 | 6910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine