Compound Detail
CHEMBL1380131
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Basic Information
| ChEMBL ID | CHEMBL1380131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQVOTPQJHZEYQL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
3.70
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6370.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.05 | 5.05 | 8810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptotic protease-activating factor 1 | IC50 | = | 1940.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 6370.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Protein RecA | EC50 | = | 8810.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine