Compound Detail
CHEMBL335062
ANDROSTANDIOL Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL335062 |
| Name | ANDROSTANDIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBMYJHIOYJEBSB-KHOSGYARSA-N |
3
Targets
3
Activities
3
Assay Types
1
PK Parameters
19
Publications
0
Known Names
Molecular Properties
292.5
MW (Da)
3.75
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.15
IC50 1 meas. best 5.73
Kd 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 9.11 | 9.11 | 0.8 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.73 | 5.73 | 1867.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.15 | 5.15 | 7010.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1850000.0 | M-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 0.7762 | nM | 9.11 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| GABA-A receptor; anion channel | IC50 | = | 1867.0 | nM | 5.73 | Inhibition of binding of tert-butyl bicyclophosphorothionate ([35 S]TBPS) at Gam... | 11063608 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 7010.0 | nM | 5.15 | Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | 18307294 |
Literature References
Data from ChEMBL 36 via Core Engine