METHIXENE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 32VY6L26ZW

Structure
InChI Key MJFJKKXQDNNUJF-UHFFFAOYSA-N
Smile CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1
InChI
InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23NS
Molecular Weight 309.48
AlogP 5.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1600 - - 43

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 51024
ChEMBL CHEMBL1201342
DrugBank DB00340
DrugCentral 1780
EPA CompTox DTXSID1047867
FDA SRS 32VY6L26ZW
Human Metabolome Database HMDB0014484
Guide to Pharmacology 7232
PharmGKB PA164783811
PubChem 4167
SureChEMBL SCHEMBL149672
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