Compound Detail
CHEMBL1323722
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Basic Information
| ChEMBL ID | CHEMBL1323722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNCBYWRUMCMMO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
5.06
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.58 | 5.58 | 2661.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.18 | 5.18 | 6602.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.08 | 5.08 | 8239.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2661.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 6602.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 8239.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine