Compound Detail
CHEMBL316048
ANDROSTANEDIOL 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@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL316048 |
| Name | ANDROSTANEDIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBMYJHIOYJEBSB-YSZCXEEOSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
20
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 8.33
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | EC50 | 8.33 | 8.33 | 4.7 | 1 |
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 18000000.0 | M-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | EC50 | = | 4.66 | nM | 8.33 | Growth response in cultures of MCF-7 (human breast cancer cell line) cells | 9357533 |
| Corticosteroid-binding globulin | Ki | = | 10000.0 | nM | 5.0 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15781124 | 10.1016/j.pharmthera.2004.10.013 | UDP-glucuronosyltransferase 2B15 | 2 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B17 | 2 |
| 19772289 | 10.1021/jm900921c | 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 | 2 |
| 9435904 | 10.1021/jm970487v | Corticosteroid-binding globulin | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A4 | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B15 | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B7 | 1 |
| 12672239 | 10.1021/jm021077w | Corticosteroid-binding globulin | 1 |
| 10966742 | 10.1021/jm000941m | Corticosteroid-binding globulin | 1 |
| 9357533 | 10.1021/jm9703294 | MCF7 | 1 |
| 9357533 | 10.1021/jm9703294 | Estrogen receptor | 1 |
| 8474098 | 10.1021/jm00056a002 | Corticosteroid-binding globulin | 1 |
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
| 9379435 | 10.1021/jm970211n | Sex hormone-binding globulin | 1 |
| 9379435 | 10.1021/jm970211n | Corticosteroid-binding globulin | 1 |
| 9651159 | 10.1021/jm970732a | Corticosteroid-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Sex hormone-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Corticosteroid-binding globulin | 1 |
| 8667357 | 10.1021/jm950589q | Sex hormone-binding globulin | 1 |
| 8667357 | 10.1021/jm950589q | Corticosteroid-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine