Compound Detail
CHEMBL253144
CORTODOXONE 🧪 Phase II
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🧪 Phase II
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL253144 |
| Name | CORTODOXONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WHBHBVVOGNECLV-OBQKJFGGSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
20
Publications
17
Known Names
Molecular Properties
346.5
MW (Da)
2.81
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 5.0
Kd 1 meas. best 7.44
Ki 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 7.88 | 7.88 | 13.2 | 1 |
| Sex hormone-binding globulin CHEMBL3305 | Kd | 7.44 | 7.44 | 36.3 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticosteroid-binding globulin | Ki | = | 13.18 | nM | 7.88 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
| Sex hormone-binding globulin | Kd | = | 36.31 | nM | 7.44 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2897467 | 10.1021/jm00401a015 | Glucocorticoid receptor | 7 |
| 19772289 | 10.1021/jm900921c | 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 | 2 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2897467 | 10.1021/jm00401a015 | Androgen receptor | 1 |
| 9435904 | 10.1021/jm970487v | Corticosteroid-binding globulin | 1 |
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
| 8411009 | 10.1021/jm00072a012 | Corticosteroid-binding globulin | 1 |
| 3599019 | 10.1021/jm00390a002 | ADMET | 1 |
| 9379435 | 10.1021/jm970211n | Sex hormone-binding globulin | 1 |
| 9379435 | 10.1021/jm970211n | Corticosteroid-binding globulin | 1 |
| 2897467 | 10.1021/jm00401a015 | Mineralocorticoid receptor | 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 |
| 14561088 | 10.1021/jm030861t | Nuclear receptor subfamily 1 group I member 3 | 1 |
| 8474098 | 10.1021/jm00056a002 | Sex hormone-binding globulin | 1 |
| 8474098 | 10.1021/jm00056a002 | Corticosteroid-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine