TRIAMCINOLONE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AC01 C05AA12 D07AB09 D07XB02 H02AB08 R01AD11 R03BA06 S01BA05
UNII 1ZK20VI6TY
EPA CompTox DTXSID1040742

Structure

InChI Key GFNANZIMVAIWHM-OBYCQNJPSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
InChI
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27FO6
Molecular Weight 394.44
AlogP 0.62
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 115.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 94.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 70.81-81.81
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 70.81-81.81
Mus musculus
- - - - 94.1

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 9667
ChEMBL CHEMBL1451
DrugBank DB00620
DrugCentral 2725
FDA SRS 1ZK20VI6TY
Human Metabolome Database HMDB0014758
Guide to Pharmacology 2870
PharmGKB PA451749
PubChem 31307
SureChEMBL SCHEMBL4447
ZINC ZINC000003882036
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