Compound Detail
CHEMBL4856707
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Basic Information
| ChEMBL ID | CHEMBL4856707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAGNWWLJSOJIFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
4.69
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 312.0 | ng.hr.mL-1 | Mus musculus |
| CL | 69.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 348.71 | nM | Mus musculus |
| F | 19.0 | % | Mus musculus |
| T1/2 | 1.35 | hr | Mus musculus |
| Vd | 2.75 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluor... | 33914534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33914534 | 10.1021/acs.jmedchem.0c02126 | ADMET | 6 |
| 33914534 | 10.1021/acs.jmedchem.0c02126 | Low molecular weight phosphotyrosine protein phosphatase | 3 |
Data from ChEMBL 36 via Core Engine