Molecule Details
| InChIKey | OIGNJSKKLXVSLS-VWUMJDOOSA-N |
|---|---|
| Compound Name | Prednisolone |
| Canonical SMILES | C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00860 |
|---|---|
| Drug Name | Prednisolone |
| CAS Number | 50-24-8 |
| Groups | approved investigational vet_approved |
| ATC Codes | D07AA03 S01CA02 D07XA02 A01AC54 R01AD02 S01BB02 S01CB02 R01AD52 V03AB05 S03BA02 D07BA01 D07CA03 S01BA04 S02BA03 A01AC04 A07EA01 H02AB06 S02CA01 C05AA04 S03CA02 |
| Description | Prednisolone is a glucocorticoid similar to [cortisol] used for its anti-inflammatory, immunosuppressive, anti-neoplastic, and vasoconstrictive effects.[A187463] Prednisolone was granted FDA approval on 21 June 1955.[L9431] |
Categories: Adrenal Cortex Hormones Adrenals Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use Alimentary Tract and Metabolism Anti-Inflammatory Agents Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents Antidotes Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents Corticosteroid Hormone Receptor Agonists Corticosteroids Corticosteroids Acting Locally Corticosteroids for Local Oral Treatment Corticosteroids for Systemic Use Corticosteroids for Systemic Use, Plain Corticosteroids, Dermatological Preparations Corticosteroids, Weak (Group I) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Dermatologicals Endocrine Therapy Fused-Ring Compounds Hormone Antagonists and Related Agents Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Immunosuppressive Agents Intestinal Antiinflammatory Agents Nasal Preparations Ophthalmological and Otological Preparations Ophthalmologicals Otologicals P-glycoprotein substrates Prednisolone and Prodrugs Pregnadienes Pregnadienetriols Pregnanes Sensory Organs Steroids Stomatological Preparations Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Vasoprotectives
Cross-references: BindingDB: 19190 ChEBI: 8378 CHEMBL131 ChemSpider: 5552 Drugs Product Database (DPD): 7617 Guide to Pharmacology: 2866 IUPHAR: 2866 C07369 D00472 PDB: TUA PharmGKB: PA451096 PubChem:5755 PubChem:46504847 RxCUI: 8638 Therapeutic Targets Database: DAP000419 Wikipedia: Prednisolone ZINC: ZINC000003833821
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05231 | IL6 | Homo sapiens | Human | PF00489 | 8.4 | IC50 | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 8.2 | IC50 | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 7.8 | IC50 | ChEMBL;BindingDB |
| P08185 | SERPINA6 | Homo sapiens | Human | PF00079 | 7.5 | Ki | ChEMBL;BindingDB |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 7.4 | IC50 | ChEMBL;BindingDB |
| P01375 | TNF | Homo sapiens | Human | PF00229 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q8TDU6 | GPBAR1 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08185 | SERPINA6 | Corticosteroid-binding globulin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P04150 | NR3C1 | Glucocorticoid receptor | agonist | targets |
| P08235 | NR3C2 | Mineralocorticoid receptor | agonist | targets |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |