TEGASEROD

Search structure
Synonyms:
Status: Approved (2002) Withdrawn (2007)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A06AX06
UNII: 458VC51857

Structure
InChI Key IKBKZGMPCYNSLU-RGVLZGJSSA-N
Smile CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12
InChI
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23N5O
Molecular Weight 301.39
AlogP 2.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 85.29
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 2512 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 33-33
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
1-16 - - 4-31 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 3 D005764 ClinicalTrials
Dyspepsia 3 D004415 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 145158-71-0
ChEBI 51043
ChEMBL CHEMBL76370
DrugBank DB01079
EPA CompTox DTXSID6045955
FDA SRS 458VC51857
Guide to Pharmacology 226
PubChem 135409453
SureChEMBL SCHEMBL16464
ZINC ZINC000001545565
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