LP-12   Click here for help

GtoPdb Ligand ID: 8434

Synonyms: compound 21 [PMID 17649988]
Compound class: Synthetic organic
Comment: LP-12 is a selective serotonin 5-HT7 receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 35.58
Molecular weight 481.31
XLogP 6.92
No. Lipinski's rules broken 1
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Canonical SMILES O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
Isomeric SMILES O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
InChI InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 21 [PMID 17649988]
Database Links Click here for help
Specialist databases
GPCRdb Ligand LP-12
Other databases
ChEMBL Ligand CHEMBL243954
GtoPdb PubChem SID 252166644
PubChem CID 23643664
Search Google for chemical match using the InChIKey NMZIDFFHGCRAJV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NMZIDFFHGCRAJV
UniChem Compound Search for chemical match using the InChIKey NMZIDFFHGCRAJV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NMZIDFFHGCRAJV-UHFFFAOYSA-N