Compound Detail
CHEMBL3426988
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Basic Information
| ChEMBL ID | CHEMBL3426988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKASGXLJIUNWIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
5.84
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 ... | 25703307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25703307 | 10.1016/j.bmc.2015.01.043 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine