Compound Detail
CHEMBL1611106
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Basic Information
| ChEMBL ID | CHEMBL1611106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBZGUXCOHGXIRI-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.8
MW (Da)
3.26
ALogP
4
HBA
0
HBD
45.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
EC50 3 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 6.16 | 6.16 | 694.3 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.67 | 5.67 | 2160.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.32 | 5.295 | 4767.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.14 | 5.14 | 7240.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 694.34 | nM | 6.16 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Protein RecA | EC50 | = | 2160.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| HEK293 | IC50 | = | 4767.0 | nM | 5.32 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 5321.5 | nM | 5.27 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | EC50 | = | 7240.0 | nM | 5.14 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Tegument protein VP16 | IC50 | = | 16000.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 16700.0 | nM | 4.78 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine