SEPRANOLONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3P8Z6V53MU

Structure
InChI Key AURFZBICLPNKBZ-FZCSVUEKSA-N
Smile CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H34O2
Molecular Weight 318.5
AlogP 4.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 4300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 2 D008881 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 11909
ChEMBL CHEMBL2057301
DrugBank DB12972
FDA SRS 3P8Z6V53MU
Human Metabolome Database HMDB0001455
KEGG C15484
SureChEMBL SCHEMBL598848
ZINC ZINC000003833954
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