Compound Detail
CHEMBL229670
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Basic Information
| ChEMBL ID | CHEMBL229670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZTDFKLABHOHBU-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.32
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.72 | 4.72 | 19200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of human recombinant PTP1B | 17489632 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after... | 21571537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17489632 | 10.1021/np060477+ | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21571537 | 10.1016/j.bmc.2011.04.037 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine