BUDESONIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07EA06 D07AC09 R01AD05 R03BA02
UNII Q3OKS62Q6X
EPA CompTox DTXSID8020202

Structure

InChI Key VOVIALXJUBGFJZ-KWVAZRHASA-N
Smiles CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34O6
Molecular Weight 430.54
AlogP 2.72
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST KEGG PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - - - 55.3-70.3
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
2-12.4 0.5-3.8 - 1.3 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
4.8 14 - - -
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
- 28 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 710 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 30.3-79
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 38.2
Unclassified protein
- - - - 70.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 43.76-73
Homo sapiens
2-12.4 0.12-28 - 1.3 30.3-79
Mus musculus
- 0.82 - - 55.3-70.3
Rattus norvegicus
- 710 - - 29-84

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Related Entries

Cross References

Resources Reference
ChEBI 3207
ChEMBL CHEMBL1370
DrugBank DB01222
DrugCentral 419
FDA SRS Q3OKS62Q6X
Human Metabolome Database HMDB0015353
Guide to Pharmacology 7434
KEGG D00246
PubChem 5281004
SureChEMBL SCHEMBL4096
ZINC ZINC04097286
CONTENTS