Compound Detail
CHEMBL1996281
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Basic Information
| ChEMBL ID | CHEMBL1996281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYGULAZSTIAFFN-SSDVNMTOSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.56
ALogP
7
HBA
3
HBD
107.7
PSA (Ų)
0.19
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
EC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.33 | 5.33 | 4722.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.29 | 5.29 | 5184.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.28 | 5.28 | 5286.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.19 | 5.095 | 6430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 4722.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 5184.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 5286.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | EC50 | = | 6430.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine