BECLOMETHASONE DIPROPIONATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 5B307S63B2
EPA CompTox DTXSID3048730
Parent Compound:

Structure

InChI Key KUVIULQEHSCUHY-XYWKZLDCSA-N
Smiles CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37ClO7
Molecular Weight 521.05
AlogP 4.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 106.97
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 14.78-41.53
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 14.78-41.53

Target Conservation

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

Cross References

Resources Reference
ChEBI 3002
ChEMBL CHEMBL1200500
DrugBank DB00394
DrugCentral 294
FDA SRS 5B307S63B2
Human Metabolome Database HMDB0014538
Guide to Pharmacology 5894
KEGG C07813
PubChem 21700
SureChEMBL SCHEMBL6890
ZINC ZINC000003938744
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