Compound Detail
CHEMBL1564670
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Basic Information
| ChEMBL ID | CHEMBL1564670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSQUNIFZLZOAQW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.92
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
EC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.48 | 6.48 | 331.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.17 | 5.99 | 672.0 | 2 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.41 | 5.41 | 3871.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.11 | 5.11 | 7748.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 4.47 | 4.47 | 34158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 331.0 | nM | 6.48 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| BJ | EC50 | = | 672.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 1533.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 3871.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 7748.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 34158.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine