Compound Detail
CHEMBL1331226
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Basic Information
| ChEMBL ID | CHEMBL1331226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWWIWXNJNCIQQU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.37
ALogP
5
HBA
0
HBD
81.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.14 | 5.14 | 7272.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.06 | 5.06 | 8731.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.67 | 4.67 | 21160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 7272.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 8731.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 21160.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine