Compound Detail
CHEMBL253363
PREGNENOLONE Phase I
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Phase I
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL253363 |
| Name | PREGNENOLONE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | ORNBQBCIOKFOEO-QGVNFLHTSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names
1
Indications
Molecular Properties
316.5
MW (Da)
4.52
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Depressive Disorder, Major
Activity Summary
IC50 1 meas. best 4.09
Kd 1 meas. best 7.15
Ki 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sex hormone-binding globulin CHEMBL3305 | Kd | 7.15 | 7.15 | 70.8 | 1 |
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 5.23 | 5.23 | 5888.4 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.09 | 4.09 | 81400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sex hormone-binding globulin | Kd | = | 70.79 | nM | 7.15 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Corticosteroid-binding globulin | Ki | = | 5888.44 | nM | 5.23 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 81400.0 | nM | 4.09 | Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escheric... | 22506561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395498 | 10.1021/np980471n | NON-PROTEIN TARGET | 4 |
| 10395498 | 10.1021/np980471n | Aorta | 3 |
| 21507644 | 10.1016/j.bmcl.2011.03.089 | Unchecked | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22357341 | 10.1016/j.bmcl.2012.01.103 | PC-12 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A8 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 19121874 | 10.1016/j.ejmech.2008.11.014 | MDA-MB-468 | 2 |
| 19772289 | 10.1021/jm900921c | 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 | 2 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B17 | 2 |
| 926114 | 10.1021/jm00219a006 | Progesterone receptor | 2 |
| 3599019 | 10.1021/jm00390a002 | ADMET | 1 |
| 8411009 | 10.1021/jm00072a012 | Sex hormone-binding globulin | 1 |
| 8411009 | 10.1021/jm00072a012 | Corticosteroid-binding globulin | 1 |
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 9651159 | 10.1021/jm970732a | Corticosteroid-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Corticosteroid-binding globulin | 1 |
| 14561088 | 10.1021/jm030861t | Nuclear receptor subfamily 1 group I member 3 | 1 |
Data from ChEMBL 36 via Core Engine