HALOBETASOL PROPIONATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 91A0K1TY3Z
EPA CompTox DTXSID6046636
Parent Compound:

Structure

InChI Key BDSYKGHYMJNPAB-LICBFIPMSA-N
Smiles CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31ClF2O5
Molecular Weight 484.97
AlogP 4.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed

Target Conservation

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

Cross References

Resources Reference
ChEBI 135782
ChEMBL CHEMBL1200908
DrugCentral 1349
FDA SRS 91A0K1TY3Z
PubChem 6918178
SureChEMBL SCHEMBL33858
ZINC ZINC000003920028
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