Compound Detail
CHEMBL4788179
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Basic Information
| ChEMBL ID | CHEMBL4788179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHYOCYHNDDERNY-QGPMSJSTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.17
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.39 | 4.39 | 40300.0 | 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 | = | 40300.0 | nM | 4.39 | Inhibition of recombinant human PTP1B using pNPP as substrate measured after 30 ... | 32738350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32738350 | 10.1016/j.ejmech.2020.112508 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine