LY 156735   Click here for help

GtoPdb Ligand ID: 1351

Synonyms: LY-156,735 | LY-156735 | LY156735 | TIK-301
Compound class: Synthetic organic
Comment: LY 156735 is a melatonin receptor agonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 54.12
Molecular weight 280.1
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1Cl)[nH]cc2C(CNC(=O)C)C
Isomeric SMILES COc1cc2c(cc1Cl)[nH]cc2[C@H](CNC(=O)C)C
InChI InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1
InChI Key RKHCTAKUYDTFHE-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2R)-2-(6-chloro-5-methoxy-1H-indol-3-yl)propyl]acetamide
Synonyms Click here for help
LY-156,735 | LY-156735 | LY156735 | TIK-301
Database Links Click here for help
Specialist databases
GPCRdb Ligand LY 156735
Other databases
GtoPdb PubChem SID 135650542
PubChem CID 219018
Search Google for chemical match using the InChIKey RKHCTAKUYDTFHE-QMMMGPOBSA-N
Search Google for chemicals with the same backbone RKHCTAKUYDTFHE
UniChem Compound Search for chemical match using the InChIKey RKHCTAKUYDTFHE-QMMMGPOBSA-N
UniChem Connectivity Search for chemical match using the InChIKey RKHCTAKUYDTFHE-QMMMGPOBSA-N
Wikipedia LY-156,735