tripelennamine   Click here for help

GtoPdb Ligand ID: 7318

Synonyms: Pyribenzamine®
Approved drug Immunopharmacology Ligand
tripelennamine is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Tripelennamine is a first-generation antihistamine. It also has serotonin reuptake inhibitor (SRI) activity, and was used as the template molecule in the development of the selective serotonin reuptake inhibitor (SSRI) fluvoxamine. In addition, tripelennamine has dopamine reuptake inhibitor (DRI) activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 19.37
Molecular weight 255.17
XLogP 3.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCN(c1ccccn1)Cc1ccccc1)C
Isomeric SMILES CN(CCN(c1ccccn1)Cc1ccccc1)C
InChI InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChI Key UFLGIAIHIAPJJC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1948))
IUPAC Name Click here for help
N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine
International Nonproprietary Names Click here for help
INN number INN
1548 tripelennamine
Synonyms Click here for help
Pyribenzamine®
Database Links Click here for help
CAS Registry No. 91-81-6
ChEMBL Ligand CHEMBL1241
DrugBank Ligand DB00792
DrugCentral Ligand 2762
GtoPdb PubChem SID 178103891
PubChem CID 5587
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