Compound Detail
CHEMBL1712864
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Basic Information
| ChEMBL ID | CHEMBL1712864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNPFINJPPZRGJT-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.78
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.71 | 5.71 | 1960.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.05 | 5.05 | 8830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 1590.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 1960.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 2120.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 2650.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| M-phase inducer phosphatase 2 | IC50 | = | 3370.0 | nM | 5.47 | Inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 ... | 25703307 |
| Apoptotic protease-activating factor 1 | IC50 | = | 8830.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
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