Compound Detail
CHEMBL1414990
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Basic Information
| ChEMBL ID | CHEMBL1414990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVFUYBNYHCZLSY-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
1
Known Names
Molecular Properties
314.2
MW (Da)
2.01
ALogP
4
HBA
3
HBD
129.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.64
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | Ki | 5.28 | 5.28 | 5300.0 | 2 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | Ki | = | 2300.0 | nM | 5.64 | Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expres... | 22524450 |
| M-phase inducer phosphatase 2 | Ki | = | 5300.0 | nM | 5.28 | Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic d... | 22524450 |
| M-phase inducer phosphatase 2 | Ki | = | 5300.0 | nM | 5.28 | Competitive reversible inhibition of N-terminal His6-tagged human CDC25B (377 to... | 31294975 |
| M-phase inducer phosphatase 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expres... | 22524450 |
| M-phase inducer phosphatase 2 | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expres... | 22524450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524450 | 10.1021/jm201624h | MCF7 | 7 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 2 | 5 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 1 | 3 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 3 | 1 |
| 22524450 | 10.1021/jm201624h | K562 | 1 |
| 22524450 | 10.1021/jm201624h | PC-3 | 1 |
| 31294975 | 10.1021/acs.jmedchem.9b00632 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine