Compound Detail
CHEMBL1969075
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Basic Information
| ChEMBL ID | CHEMBL1969075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUDQMSTWMMIOKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
5.48
ALogP
4
HBA
3
HBD
86.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.37 | 4.37 | 42400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.05 | 4.05 | 89700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptotic protease-activating factor 1 | IC50 | = | 42400.0 | nM | 4.37 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of Apaf-1 in a Fluor... | - |
| Unchecked | IC50 | = | 89700.0 | nM | 4.05 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of Apaf-1 using a LZ... | - |
Data from ChEMBL 36 via Core Engine