TRIMETHAPHAN

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 6G8X656T45

Structure
InChI Key CHQOEHPMXSHGCL-UHFFFAOYSA-N
Smile O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
InChI
InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N2OS+
Molecular Weight 365.52
AlogP 3.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 7070 - - 6-60
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- 7070 - 2750 6-60

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 4 D006973 ClinicalTrials
Insulin Resistance 1 D007333 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 7187-66-8
ChEBI 9728
ChEMBL CHEMBL1201329
DrugBank DB01116
DrugCentral 2752
EPA CompTox DTXSID8043787
FDA SRS 6G8X656T45
Human Metabolome Database HMDB0015248
KEGG C07174
PharmGKB PA451784
PubChem 23576
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