Compound Detail
CHEMBL1412077
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Basic Information
| ChEMBL ID | CHEMBL1412077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAOUQDXIWHQNEH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.44
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.84
EC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.31 | 5.31 | 4946.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | EC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.645 | 14421.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.06 | 4.06 | 87400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 4946.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Apoptotic protease-activating factor 1 | EC50 | = | 13700.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response validation of Activators of Apaf-1 using a Fluor... | - |
| Unchecked | IC50 | = | 14421.0 | nM | 4.84 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 35878.0 | nM | 4.45 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 87400.0 | nM | 4.06 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine