HALCINONIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AD02
UNII SI86V6QNEG
EPA CompTox DTXSID6045375

Structure

InChI Key MUQNGPZZQDCDFT-JNQJZLCISA-N
Smiles CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
InChI
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32ClFO5
Molecular Weight 454.97
AlogP 3.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed 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
- - - - 88.26-103.51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.26-103.51

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31663
ChEMBL CHEMBL1200845
DrugBank DB06786
DrugCentral 4507
FDA SRS SI86V6QNEG
PubChem 443943
SureChEMBL SCHEMBL4335
ZINC ZINC000004213474
CONTENTS