Compound Detail
CHEMBL1333982
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Basic Information
| ChEMBL ID | CHEMBL1333982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBYNVBRXIUUSIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
302.3
MW (Da)
4.28
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 23100.0 | nM | 4.64 | Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expres... | 22524450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 2 | 3 |
| 27353886 | 10.1016/j.bmc.2016.06.036 | Botulinum neurotoxin type E | 1 |
Data from ChEMBL 36 via Core Engine