LOTEPREDNOL ETABONATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII YEH1EZ96K6
EPA CompTox DTXSID2046468
Parent Compound: LOTEPREDNOL

Structure

InChI Key DMKSVUSAATWOCU-HROMYWEYSA-N
Smiles CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31ClO7
Molecular Weight 466.96
AlogP 3.92
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 99.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed

Target Conservation

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

Cross References

Resources Reference
ChEBI 31784
ChEMBL CHEMBL1200865
DrugBank DB14596
DrugCentral 1611
FDA SRS YEH1EZ96K6
Guide to Pharmacology 7085
PharmGKB PA164764569
PubChem 444025
SureChEMBL SCHEMBL23907
ZINC ZINC000003920673
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