Compound Detail
CHEMBL3978384
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COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3978384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXNYEUGGRMYQLD-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1085.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Ki 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 9 CHEMBL6117 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 9 CHEMBL6117 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 9 | Ki | = | 34.0 | nM | 7.47 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
| Tyrosine-protein phosphatase non-receptor type 9 | IC50 | = | 75.0 | nM | 7.12 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 830.0 | nM | 6.08 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 860.0 | nM | 6.07 | Enzyme Kinetic Assay: PTP activity was assayed using p-nitrophenyl phosphate (pN... | - |
Data from ChEMBL 36 via Core Engine