Compound Detail
CHEMBL1965654
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Basic Information
| ChEMBL ID | CHEMBL1965654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUPRLICYSOIIGG-AWQFTUOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.3
MW (Da)
5.14
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.405 | 208.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.68 | 5.68 | 2091.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.97 | 4.97 | 10698.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.86 | 4.86 | 13860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 208.0 | nM | 6.68 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 740.0 | nM | 6.13 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 2091.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 10698.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 13860.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine