Compound Detail
CHEMBL1527972
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Basic Information
| ChEMBL ID | CHEMBL1527972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FADYQKSIESMOII-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
4.08
ALogP
3
HBA
3
HBD
44.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.17
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.23 | 4.87 | 5900.0 | 2 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.17 | 5.06 | 6733.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.69 | 4.69 | 20412.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP... | 21846139 |
| Insulin-degrading enzyme | EC50 | = | 6733.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Insulin-degrading enzyme | EC50 | = | 11125.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| HEK293 | EC50 | = | 20412.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Androgen receptor | IC50 | = | 30700.0 | nM | 4.51 | Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Es... | 21846139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21846139 | 10.1021/jm200532b | Androgen receptor | 3 |
| 21846139 | 10.1021/jm200532b | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine