Compound Detail
CHEMBL1413178
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Basic Information
| ChEMBL ID | CHEMBL1413178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPVRNIFVVWTXTQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.45
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.92 | 5.92 | 1197.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.46 | 5.46 | 3503.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.0267 | 7560.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 1197.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 3503.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | IC50 | = | 7560.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 10150.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 10600.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine