Compound Detail
CHEMBL3398250
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Basic Information
| ChEMBL ID | CHEMBL3398250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPHWBUROVXQSRY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3546543 |
| Active Moiety | CHEMBL3546543 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
8.10
ALogP
8
HBA
2
HBD
52.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Ki 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 7.48 | 6.09 | 33.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | Ki | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of... | 25666825 |
| Tyrosine-protein phosphatase non-receptor type 5 | Ki | = | 124.0 | nM | 6.91 | Inhibition of STEP (unknown origin) in absence of GSH by p-nitrophenyl phosphate... | 25666825 |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of... | 25666825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25666825 | 10.1016/j.bmcl.2015.01.020 | Tyrosine-protein phosphatase non-receptor type 5 | 5 |
Data from ChEMBL 36 via Core Engine