Compound Detail
CHEMBL106109
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COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL106109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOXRHVKSOJWLA-FQEVSTJZSA-N |
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
3.05
ALogP
9
HBA
4
HBD
169.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9365-7 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 14592481 | 10.1016/j.bmcl.2003.08.064 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 14592481 | 10.1016/j.bmcl.2003.08.064 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 14592481 | 10.1016/j.bmcl.2003.08.064 | Caco-2 | 1 |
| 12951078 | 10.1016/s0960-894x(03)00725-x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12951078 | 10.1016/s0960-894x(03)00725-x | Tyrosine-protein phosphatase non-receptor type 22 | 1 |
Data from ChEMBL 36 via Core Engine