PREDNICARBATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AC18
UNII V901LV1K7D
EPA CompTox DTXSID9045502

Structure

InChI Key FNPXMHRZILFCKX-KAJVQRHHSA-N
Smiles CCOC(=O)O[C@]1(C(=O)COC(=O)CC)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/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36O8
Molecular Weight 488.58
AlogP 3.7
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 116.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 135791
ChEMBL CHEMBL1200386
DrugBank DB01130
DrugCentral 2243
FDA SRS V901LV1K7D
Guide to Pharmacology 7605
PubChem 6714002
SureChEMBL SCHEMBL3941
ZINC ZINC000003938652
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