DESOXIMETASONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D07AC03
UNII: 4E07GXB7AU

Structure
InChI Key VWVSBHGCDBMOOT-IIEHVVJPSA-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@H]1C(=O)CO
InChI
InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO4
Molecular Weight 376.47
AlogP 2.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

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 Transferase
- - - - 12.81
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
10000 - - - -
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
- 2.573 - 1.169 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 84 - 11 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 16420 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 4 D011565 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
22.22
Skin and subcutaneous tissue disorders
22.22
Injury, poisoning and procedural complications
17.85
Nervous system disorders
7.29
Product issues
4.37
Eye disorders
3.46
Psychiatric disorders
3.1
Immune system disorders
2.91
Respiratory, thoracic and mediastinal disorders
2.55
Investigations
2.37
Infections and infestations
2.19

Cross References

Resources Reference
CAS NUMBER 382-67-2
ChEBI 691037
ChEMBL CHEMBL1766
DrugBank DB00547
DrugCentral 819
EPA CompTox DTXSID3045647
FDA SRS 4E07GXB7AU
Human Metabolome Database HMDB14687
Guide to Pharmacology 7067
PharmGKB PA164746011
PubChem 5311067
SureChEMBL SCHEMBL4214
ZINC ZINC000004212854
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