Compound Detail
CHEMBL400144
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Basic Information
| ChEMBL ID | CHEMBL400144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTFRDMOGLIUFL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.17
ALogP
7
HBA
2
HBD
88.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.48 | 5.48 | 3280.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 4.36 | 4.36 | 43800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 3280.0 | nM | 5.48 | Inhibition of Cdc25A (336-523) expressed in Escherichia coli | 18714978 |
| M-phase inducer phosphatase 2 | IC50 | = | 4670.0 | nM | 5.33 | Inhibition of Cdc25B (378-566) expressed in Escherichia coli | 18714978 |
| Alkaline phosphatase, germ cell type | IC50 | = | 6620.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 20700.0 | nM | 4.68 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 43800.0 | nM | 4.36 | Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3) | 18358718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18714978 | 10.1021/jm701157g | M-phase inducer phosphatase 1 | 2 |
| 18714978 | 10.1021/jm701157g | M-phase inducer phosphatase 2 | 2 |
| 18358718 | 10.1016/j.bmcl.2008.03.013 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine