Compound Detail
CHEMBL1996902
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Basic Information
| ChEMBL ID | CHEMBL1996902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPCNWPJSHMBZDB-ICFOKQHNSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.07
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.43 | 5.43 | 3729.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.15 | 5.15 | 7125.0 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.13 | 5.13 | 7485.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.09 | 5.09 | 8117.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.94 | 4.94 | 11480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 3729.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 7125.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 7485.0 | nM | 5.13 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Tegument protein VP16 | IC50 | = | 8117.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 11480.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
Data from ChEMBL 36 via Core Engine