tolvaptan

Ligand id: 2226

Name: tolvaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 69.64
Molecular weight 448.16
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2009))
IUPAC Name
N-[4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
International Nonproprietary Names
INN number INN
7969 tolvaptan
Synonyms
OPC-41061 | Samsca®
Database Links
BindingDB Ligand 50094071
CAS Registry No. 150683-30-0 (source: Scifinder)
ChEMBL Ligand CHEMBL344159
PubChem CID 216237
Search Google for chemical match using the InChIKey GYHCTFXIZSNGJT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GYHCTFXIZSNGJT
Search PubMed clinical trials tolvaptan
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Search PubMed titles/abstracts tolvaptan
Search UniChem for chemical match using the InChIKey GYHCTFXIZSNGJT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GYHCTFXIZSNGJT
Wikipedia Tolvaptan
Comments
Tolvaptan is a selective, competitive vasopressin receptor 2 (V2) antagonist.