Compound Detail
CHEMBL1586
BECLOMETHASONE 🧪 Phase II
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🧪 Phase II
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL1586 |
| Name | BECLOMETHASONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NBMKJKDGKREAPL-DVTGEIKXSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
20
Publications
3
Known Names
Molecular Properties
408.9
MW (Da)
2.17
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 8.08
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.08 | 8.08 | 8.2 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.95 | 10000.0 | 2 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.99 | 4.81 | 10300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 0.2 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 3.743 | nM | 8.43 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Glucocorticoid receptor | IC50 | = | 8.234 | nM | 8.08 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Bile salt export pump | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell ... | 24799086 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
| Bile salt export pump | IC50 | = | 23670.0 | nM | 4.63 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
Data from ChEMBL 36 via Core Engine