Compound Detail
CHEMBL142348
ANDROSTENOL Enter ChEMBL ID:
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C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL142348 |
| Name | ANDROSTENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRVXMNNRSSQZJP-PHFHYRSDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
4.56
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Nuclear receptor subfamily 1 group I member 3 CHEMBL3069 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against HEK293 cells | 18973326 |
| Nuclear receptor subfamily 1 group I member 3 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory concentration against mammalian m-constitutive androstane receptor (m... | 14561088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18973326 | 10.1021/jm800337r | Nuclear receptor subfamily 1 group I member 3 | 35 |
| 14561088 | 10.1021/jm030861t | Nuclear receptor subfamily 1 group I member 3 | 1 |
| 18973326 | 10.1021/jm800337r | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine