Compound Detail
CHEMBL3088130
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Basic Information
| ChEMBL ID | CHEMBL3088130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKLYIYQQEIPMNR-HZPDHXFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
1.97
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.71 | 4.71 | 19560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 19560.0 | nM | 4.71 | Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP... | 24224843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24224843 | 10.1021/np400533h | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine