TRIAMCINOLONE DIACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII A73MM2Q32P
EPA CompTox DTXSID0048713
Parent Compound: TRIAMCINOLONE

Structure

InChI Key XGMPVBXKDAHORN-RBWIMXSLSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31FO8
Molecular Weight 478.51
AlogP 1.76
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 127.2
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN PubMed Wikipedia FDA
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
- - - - 98.08-104.91
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.08-104.91

Target Conservation

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

Cross References

Resources Reference
ChEBI 9669
ChEMBL CHEMBL1200449
DrugCentral 2727
FDA SRS A73MM2Q32P
KEGG C08184
PubChem 6216
SureChEMBL SCHEMBL12549
ZINC ZINC000003875441
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