Compound Detail
CHEMBL1541973
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Basic Information
| ChEMBL ID | CHEMBL1541973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEEMKLGKYAOKOA-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
2.59
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.27
EC50 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.29 | 6.195 | 509.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 4.955 | 6080.0 | 2 |
| Protein RecA CHEMBL1741171 | EC50 | 5.14 | 5.14 | 7310.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1293301 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 509.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 798.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 5400.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 6080.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Protein RecA | EC50 | = | 7310.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 14800.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Fluorescence for the identification of compounds that decrease... | - |
| Unchecked | IC50 | = | 20400.0 | nM | 4.69 | PUBCHEM_BIOASSAY: uHTS fluorescence for the identification of compounds that dec... | - |
Data from ChEMBL 36 via Core Engine