tegaserod

Ligand id: 226

Name: tegaserod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 84.03
Molecular weight 301.19
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
Withdrawn drug? Yes
IUPAC Name
1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine
International Nonproprietary Names
INN number INN
7606 tegaserod
Synonyms
HTF 919 | SDZ HTF 919 | Zelnorm®
Database Links
CAS Registry No. 145158-71-0 (source: Scifinder)
PubChem CID 5362436
Search Google for chemical match using the InChIKey JWXDRFUZDKKGDV-VAWYXSNFSA-N
Search Google for chemicals with the same backbone JWXDRFUZDKKGDV
Search PubMed clinical trials tegaserod
Search PubMed titles tegaserod
Search PubMed titles/abstracts tegaserod
Search UniChem for chemical match using the InChIKey JWXDRFUZDKKGDV-VAWYXSNFSA-N
Search UniChem for chemicals with the same backbone JWXDRFUZDKKGDV
Wikipedia Tegaserod
Comments
There is some ambiguity as to the exact structure of tegaserod. The structure shown here has the highest submitter consensus in PubChem but may not match renderings in references for the biological activity. Reported alternatives include CID 5487301, and CHEMBL76370.
Marketed formulations include tegaserod maleate (PubChem CID 6918369)- again with the caveat of alternative representations.