Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: H02AB17
UNII: YM183K0H63

Structure

InChI Key RKHQGWMMUURILY-UHRZLXHJSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38N2O5
Molecular Weight 530.67
AlogP 4.3
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 101.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135820
ChEMBL CHEMBL2105842
DrugBank DB13003
DrugCentral 736
EPA CompTox DTXSID40149442
FDA SRS YM183K0H63
PubChem 66249
SureChEMBL SCHEMBL4875
ZINC ZINC000004215466