VAMOROLONE

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 8XP29XMB43

Structure
InChI Key AJAMXPWEAPICIM-XCAPYKEYSA-N
Smile CCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C
InChI
InChI=1S/C23H30O3/c1-5-20(25)23(26)14(2)12-19-17-7-6-15-13-16(24)8-10-21(15,3)18(17)9-11-22(19,23)4/h8-10,13-14,17,19,26H,5-7,11-12H2,1-4H3/t14-,17-,19+,21+,22+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O3
Molecular Weight 354.49
AlogP 4.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Primary Target
Glucocorticoid receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 1.9
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 7.9
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 15.3
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 20000 - - -
Other cytosolic protein
- 65.9 - - -
Transcription factor
- 65.9 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Dystrophy, Duchenne 2 D020388 ClinicalTrials
Colitis, Ulcerative 1 D003093 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 13209-41-1
ChEMBL CHEMBL3707311
FDA SRS 8XP29XMB43
Guide to Pharmacology 9247
PubChem 3035000
ZINC ZINC000473234815
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