Compound Detail
CHEMBL1893675
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Basic Information
| ChEMBL ID | CHEMBL1893675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCEINUXVJMDYCM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
4.63
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.39 | 5.19 | 4102.0 | 2 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.38 | 5.38 | 4166.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.25 | 5.25 | 5661.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.95 | 4.95 | 11111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tegument protein VP16 | IC50 | = | 4102.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| COUP transcription factor 2 | IC50 | = | 4166.0 | nM | 5.38 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 5661.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 10332.0 | nM | 4.99 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 11111.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine