Compound Detail
CHEMBL1688937
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Basic Information
| ChEMBL ID | CHEMBL1688937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQSOTSIYXPYTRE-GNTOHDJUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.58
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.66 | 4.66 | 21860.0 | 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 | = | 21860.0 | nM | 4.66 | Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP... | 24224843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24224843 | 10.1021/np400533h | 3T3-L1 | 2 |
| 22752007 | 10.1124/dmd.112.045906 | Cytochrome P450 1A2 | 2 |
| 22752007 | 10.1124/dmd.112.045906 | Cytochrome P450 2C9 | 2 |
| 21345685 | 10.1016/j.bmc.2011.01.059 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 24224843 | 10.1021/np400533h | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 22752007 | 10.1124/dmd.112.045906 | Cytochrome P450 2C19 | 1 |
Data from ChEMBL 36 via Core Engine