Compound Detail
CHEMBL635
PREDNISONE 💊 Approved Drug
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💊 Approved Drug
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL635 |
| Name | PREDNISONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XOFYZVNMUHMLCC-ZPOLXVRWSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL131 |
3
Targets
6
Activities
4
Assay Types
19
PK Parameters
20
Publications
26
Known Names
20
Indications
1
Mechanisms
Molecular Properties
358.4
MW (Da)
1.77
ALogP
5
HBA
2
HBD
91.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1955 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor agonist | AGONIST | Glucocorticoid receptor | ✓ | ✓ |
Indications
Addison Disease Adrenal Hyperplasia, Congenital Adrenal Hyperplasia, Congenital Anemia Anemia, Aplastic Anemia, Hemolytic Arthritis Arthritis, Gouty Arthritis, Juvenile Arthritis, Psoriatic Arthritis, Rheumatoid Asthma Berylliosis Brain Neoplasms Bursitis Bursitis Chorioretinitis Choroiditis Colitis, Ulcerative Conjunctivitis, Allergic
ATC Classification
A07EA03
prednisone
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
H02AB07
prednisone
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CORTICOSTEROIDS FOR SYSTEMIC USE
Activity Summary
IC50 2 meas. best 5.94
Ki 2 meas. best 6.28
EC50 1 meas. best 7.54
Kd 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Kd | 7.54 | 7.54 | 29.0 | 1 |
| REH CHEMBL2366320 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.28 | 6.28 | 521.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.94 | 5.94 | 1146.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.77 | 5.77 | 1692.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4947.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 163.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.kg-1 | Macaca |
| CL | 27.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 80.0 | % | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.25 | - | - |
| Fu | 0.113 | - | - |
| Fu | 0.25 | - | Homo sapiens |
| Fu | 0.27 | - | Homo sapiens |
| Fu | 0.27 | - | Homo sapiens |
| MRT | 3.8 | hr | Homo sapiens |
| T1/2 | 2.9 | hr | Homo sapiens |
| T1/2 | 0.03944 | hr | Homo sapiens |
| T1/2 | 0.04778 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| REH | EC50 | = | 29.0 | nM | 7.54 | Cytotoxicity against human REH cells overexpressing GR assessed as reduction in ... | 34046609 |
| Glucocorticoid receptor | Kd | = | 29.0 | nM | 7.54 | Induction of translocation of human glucocorticoid receptor expressed in HEK293T... | 34046609 |
| Glucocorticoid receptor | Ki | = | 521.0 | nM | 6.28 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Glucocorticoid receptor | IC50 | = | 1146.0 | nM | 5.94 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Unchecked | Ki | = | 1692.0 | nM | 5.77 | DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrob... | - |
| Unchecked | IC50 | = | 4947.0 | nM | 5.31 | DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrob... | - |
Literature References
Data from ChEMBL 36 via Core Engine