Molecule Details
InChIKeyUREBDLICKHMUKA-CXSFZGCWSA-N
Compound NameDexamethasone
Canonical SMILESC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)13
Pfam Stratification Cross-Family
Avg pChEMBL7.92
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01234
Drug NameDexamethasone
CAS Number50-02-2
Groups approved investigational vet_approved
ATC Codes R01AD53 D07XB05 R01AD03 D10AA03 S01CB01 S02CA06 S03CA01 C05AA09 S01CA01 D07CB04 H02AB02 S01BA01 A01AC02 S03BA01 D07AB19 S02BA06
DescriptionDexamethasone, or MK-125, is a corticosteroid fluorinated at position 9 used to treat endocrine, rheumatic, collagen, dermatologic, allergic, ophthalmic, gastrointestinal, respiratory, hematologic, neoplastic, edematous, and other conditions.[L10701] Developed in 1957, it is structurally similar to ...

Categories: Adrenal Cortex Hormones Adrenals Agents Causing Muscle Toxicity Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use Alimentary Tract and Metabolism Anti-Acne Preparations Anti-Acne Preparations for Topical Use Anti-Inflammatory Agents Antiemetics Antineoplastic Agents Antineoplastic Agents, Hormonal Autonomic Agents BCRP/ABCG2 Inhibitors BSEP/ABCB11 inducers Central Nervous System Agents Corticosteroid Hormone Receptor Agonists Corticosteroids Corticosteroids for Local Oral Treatment Corticosteroids for Systemic Use Corticosteroids for Systemic Use, Plain Corticosteroids, Dermatological Preparations Corticosteroids, Moderately Potent (Group II) 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 CYP2E1 Inducers Cytochrome P-450 CYP2E1 Inducers (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inducers (strong) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (moderate) Cytochrome P-450 CYP3A4 Inducers (strong) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (moderate) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Inducers Cytochrome P-450 CYP3A7 Inducers (strength unknown) Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Experimental Unapproved Treatments for COVID-19 Fused-Ring Compounds Gastrointestinal Agents Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Immunosuppressive Agents Inducers of Drug Clearance Nasal Preparations OAT3/SLC22A8 Substrates Ophthalmological and Otological Preparations Ophthalmologicals Otologicals P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Pregnadienes Pregnadienetriols Pregnanes Sensory Organs Steroids Steroids, Fluorinated Stomatological Preparations Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Vasoprotectives
Cross-references: BindingDB: 18207 ChEBI: 41879 CHEMBL384467 ChemSpider: 5541 Drugs Product Database (DPD): 7600 Guide to Pharmacology: 2768 IUPHAR: 2768 C15643 D00292 PDB: DEX PharmGKB: PA449247 PubChem:5743 PubChem:46508930 RxCUI: 3264 Therapeutic Targets Database: DAP000007 Wikipedia: Dexamethasone ZINC: ZINC000003875332
Target Activities (13)
Target Gene Organism Category Pfam pChEMBL Type Source
O14920 IKBKB Homo sapiens Human PF18397 PF12179 PF00069 9.3 IC50 ChEMBL
O15111 CHUK Homo sapiens Human PF18397 PF12179 PF00069 9.3 IC50 ChEMBL
P19838 NFKB1 Homo sapiens Human PF12796 PF00531 PF16179 PF00554 9.3 IC50 ChEMBL
Q00653 NFKB2 Homo sapiens Human PF00023 PF12796 PF00531 PF16179 PF00554 9.3 IC50 ChEMBL
Q04206 RELA Homo sapiens Human PF16179 PF00554 9.3 IC50 ChEMBL
Q99576 TSC22D3 Homo sapiens Human PF01166 8.7 IC50 BindingDB
P04150 NR3C1 Homo sapiens Human PF02155 PF00104 PF00105 8.5 IC50 ChEMBL;BindingDB
P08235 NR3C2 Homo sapiens Human PF00104 PF00105 7.5 IC50 ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 6.9 Ki BindingDB
P06401 PGR Homo sapiens Human PF00104 PF02161 PF00105 6.2 Ki ChEMBL;BindingDB
P14555 PLA2G2A Homo sapiens Human PF00068 6.2 IC50 ChEMBL
P04054 PLA2G1B Homo sapiens Human PF00068 6.2 IC50 BindingDB
P39877 PLA2G5 Homo sapiens Human PF00068 6.2 IC50 BindingDB
DrugBank Target Actions (34)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P04798 CYP1A1 Cytochrome P450 1A1 inducer enzymes
P05181 CYP2E1 Cytochrome P450 2E1 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inducer enzymes
P11509 CYP2A6 Cytochrome P450 2A6 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P20815 CYP3A5 Cytochrome P450 3A5 inducer enzymes
P24462 CYP3A7 Cytochrome P450 3A7 inducer enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inducer enzymes
Q02928 CYP4A11 Cytochrome P450 4A11 inducer enzymes
Q9HB55 CYP3A43 Cytochrome P450 3A43 inducer enzymes
P04798 CYP1A1 Cytochrome P450 1A1 inhibitor enzymes
P05093 CYP17A1 Steroid 17-alpha-hydroxylase/17,20 lyase inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P15538 CYP11B1 Cytochrome P450 11B1, mitochondrial inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 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
P80365 HSD11B2 11-beta-hydroxysteroid dehydrogenase type 2 substrate enzymes
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 agonist targets
P04083 P04083 Annexin A1 agonist targets
P04150 NR3C1 Glucocorticoid receptor agonist targets
P35228 NOS2 Nitric oxide synthase, inducible negative modulator targets
P51843 NR0B1 Nuclear receptor subfamily 0 group B member 1 stimulator targets
O95342 ABCB11 Bile salt export pump inducer transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 inducer transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 substrate transporters