Compound Detail
CHEMBL1516127
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Basic Information
| ChEMBL ID | CHEMBL1516127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCADBRUXCBRVFN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.48
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.07 | 5.07 | 8588.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 4.68 | 4.68 | 21047.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.67 | 4.67 | 21303.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.38 | 4.38 | 41529.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tegument protein VP16 | IC50 | = | 8588.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| H9c2 | IC50 | = | 21047.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 21303.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 41529.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine