Compound Detail
CHEMBL1399772
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Basic Information
| ChEMBL ID | CHEMBL1399772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJXQXNMNLWGBKZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
4.20
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.5 | 5.5 | 3197.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.0 | 5.0 | 9963.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 2090.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 3197.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 9963.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine