Molecule Details
| InChIKey | JYGXADMDTFJGBT-VWUMJDOOSA-N |
|---|---|
| Compound Name | Cortisol |
| Canonical SMILES | C[C@]12CCC(=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) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00741 |
|---|---|
| Drug Name | Hydrocortisone |
| CAS Number | 50-23-7 |
| Groups | approved investigational vet_approved |
| ATC Codes | S01CB03 A01AC03 S01BA02 S01CA03 D07AA02 S01BB01 D07XA01 D07BA04 S02CA03 A07EA02 S02BA01 R01AD60 H02AB09 D07CA01 S03CA04 C05AA01 |
| Description | Hydrocortisone, or cortisol, is a glucocorticoid secreted by the adrenal cortex.[A188387] Hydrocortisone is used to treat immune, inflammatory, and neoplastic conditions.[L10529,L10532,L10535,L10538,L7772,L7321] It was discovered in the 1930s by Edward Kendall and named Compound F, or 17-hydroxycort... |
Categories: 11-Hydroxycorticosteroids 17-Hydroxycorticosteroids 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 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 CYP2A6 Inducers Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) 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 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Dermatologicals Fused-Ring Compounds Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hydrocortisone and derivatives Hydroxycorticosteroids Hyperglycemia-Associated Agents Immunosuppressive Agents Intestinal Antiinflammatory Agents Nasal Preparations OAT3/SLC22A8 Substrates Ophthalmological and Otological Preparations Ophthalmologicals Otologicals P-glycoprotein inducers P-glycoprotein substrates Pregnanes Pregnenediones Pregnenes Sensory Organs Steroids Stomatological Preparations Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Vasoprotectives
Cross-references: BindingDB: 13775 ChEBI: 17650 CHEMBL389621 ChemSpider: 5551 Drugs Product Database (DPD): 7532 Guide to Pharmacology: 2868 IUPHAR: 2868 C00735 D00088 PDB: HCY PharmGKB: PA449905 PubChem:5754 PubChem:46505089 RxCUI: 5492 Therapeutic Targets Database: DAP000718 Wikipedia: Hydrocortisone ZINC: ZINC000013540519
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 9.3 | Kd | ChEMBL;BindingDB |
| P08185 | SERPINA6 | Homo sapiens | Human | PF00079 | 7.9 | Ki | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.6 | Ki | ChEMBL;BindingDB |
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 6.2 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (24)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04278 | SHBG | Sex hormone-binding globulin | binder | carriers |
| P08185 | SERPINA6 | Corticosteroid-binding globulin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inducer | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P15538 | CYP11B1 | Cytochrome P450 11B1, mitochondrial | substrate | enzymes |
| P19099 | CYP11B2 | Cytochrome P450 11B2, mitochondrial | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P28845 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | substrate | enzymes |
| P31213 | SRD5A2 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | substrate | enzymes |
| P51857 | AKR1D1 | Aldo-keto reductase family 1 member D1 | substrate | enzymes |
| P80365 | HSD11B2 | 11-beta-hydroxysteroid dehydrogenase type 2 | substrate | enzymes |
| P04083 | P04083 | Annexin A1 | agonist | targets |
| P04150 | NR3C1 | Glucocorticoid receptor | agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |