AMCINONIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AC11
UNII 423W026MA9
EPA CompTox DTXSID6045905

Structure

InChI Key ILKJAFIWWBXGDU-MOGDOJJUSA-N
Smiles CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChI
InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H35FO7
Molecular Weight 502.58
AlogP 3.52
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 99.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed
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
- - - - 35.76-56.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 35.76-56.58

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31199
ChEMBL CHEMBL1200732
DrugBank DB00288
DrugCentral 150
FDA SRS 423W026MA9
Human Metabolome Database HMDB0014433
Guide to Pharmacology 7060
PharmGKB PA164746074
PubChem 443958
SureChEMBL SCHEMBL4720
ZINC ZINC000003977777
CONTENTS