BETAMETHASONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A07EA04
UNII: 9842X06Q6M

Structure
InChI Key UREBDLICKHMUKA-DVTGEIKXSA-N
Smile C[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
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO5
Molecular Weight 392.47
AlogP 1.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Primary Target
Glucocorticoid receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.62
Enzyme Transferase
- - - - 7.808-7.87
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.59-15.31
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 7.735 - 3.516 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Premature Birth 3 D047928 ClinicalTrials
Pharyngitis 3 D010612 ClinicalTrials
Psoriasis 3 D011565 ClinicalTrials
Cough 3 D003371 ClinicalTrials
Lichen Planus, Oral 3 D017676 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Carpal Tunnel Syndrome 3 D002349 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Respiratory Distress Syndrome 3 D012128 ClinicalTrials
Eczema 3 D004485 ClinicalTrials
Orbital Pseudotumor 3 D016727 ClinicalTrials
Psoriasis 3 D011565 ClinicalTrials
Gout 3 D006073 ClinicalTrials
Hypersensitivity 3 D006967 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Respiratory Distress Syndrome, Newborn 2 D012127 ClinicalTrials
Retinal Vein Occlusion 2 D012170 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Sciatica 2 D012585 ClinicalTrials
Bronchiolitis 2 D001988 ClinicalTrials
Neck Pain 2 D019547 ClinicalTrials
Tachypnea 2 D059246 ClinicalTrials
Macular Edema 2 D008269 ClinicalTrials
Dry Eye Syndromes 2 D015352 ClinicalTrials
Hyaline Membrane Disease 2 D006819 ClinicalTrials
Glaucoma 2 D005901 ClinicalTrials
Adenoma 1 D000236 ClinicalTrials
Hypospadias 1 D007021 ClinicalTrials
Oral Ulcer 1 D019226 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Parent
Salt
Salt

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
12.74
Musculoskeletal and connective tissue disorders
10.77
Skin and subcutaneous tissue disorders
9.68
Vascular disorders
9.24
Injury, poisoning and procedural complications
9.03
Psychiatric disorders
7.71
Nervous system disorders
4.72
Gastrointestinal disorders
4.37
Respiratory, thoracic and mediastinal disorders
4.37
Endocrine disorders
3.81
Infections and infestations
3.47
General disorders and administration site conditions
3.12
Pregnancy, puerperium and perinatal conditions
2.9
Hepatobiliary disorders
2.78
Investigations
2.25
Eye disorders
2.22

Cross References

Resources Reference
CAS NUMBER 378-44-9
ChEBI 3077
ChEMBL CHEMBL632
DrugBank DB00443
DrugCentral 348
EPA CompTox DTXSID3022667
FDA SRS 9842X06Q6M
Human Metabolome Database HMDB14586
Guide to Pharmacology 7061
PharmGKB PA164754818
PubChem 9782
SureChEMBL SCHEMBL4565
ZINC ZINC000003876136
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