Compound Detail
CHEMBL650
METHYLPREDNISOLONE 💊 Approved Drug
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💊 Approved Drug
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12
Basic Information
| ChEMBL ID | CHEMBL650 |
| Name | METHYLPREDNISOLONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VHRSUDSXCMQTMA-PJHHCJLFSA-N |
| Therapeutic | ✓ Yes |
6
Targets
8
Activities
3
Assay Types
16
PK Parameters
20
Publications
10
Known Names
20
Indications
1
Mechanisms
Molecular Properties
374.5
MW (Da)
1.80
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1957 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor agonist | AGONIST | Glucocorticoid receptor | ✓ | ✓ |
Indications
Acne Vulgaris Arthritis, Juvenile Arthritis, Psoriatic Arthritis, Rheumatoid Asthma Bursitis Bursitis Colitis, Ulcerative Crohn Disease Dermatitis, Atopic Endocrine System Diseases Inflammation Multiple Sclerosis Osteoarthritis Pneumonia Tenosynovitis Uveitis, Posterior Abdominal Pain Aging Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis
ATC Classification
D07AA01
methylprednisolone
Level 1: DERMATOLOGICALS
Level 2: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D10AA02
methylprednisolone
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
H02AB04
methylprednisolone
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CORTICOSTEROIDS FOR SYSTEMIC USE
H02BX01
methylprednisolone, combinations
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CORTICOSTEROIDS FOR SYSTEMIC USE
Activity Summary
IC50 4 meas. best 7.96
EC50 2 meas. best 5.4
Ki 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 4.75 | 4.75 | 17786.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.57 | 4.57 | 26680.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.48 | 4.48 | 33030.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.39 | 4.39 | 40970.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.12 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 45.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 23.7 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 6.7 | mL.min-1.kg-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| F | 82.0 | % | Homo sapiens |
| Fu | 0.22 | - | Homo sapiens |
| Fu | 0.23 | - | Homo sapiens |
| Fu | 0.22 | - | Not specified |
| Fu | 0.97 | - | Homo sapiens |
| MRT | 3.5 | hr | Homo sapiens |
| T1/2 | 2.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine