Compound Detail
CHEMBL2004809
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Basic Information
| ChEMBL ID | CHEMBL2004809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAKTYADCYHVMJR-CAOIWOLBSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.31
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.26 | 5.26 | 5522.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.12 | 5.12 | 7516.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.98 | 4.98 | 10562.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.3 | 4.3 | 50372.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 5522.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 7516.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 10562.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 50372.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine