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Ligand

NameCHEMBL187888
Molecular formulaC13H15N3
IUPAC name(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-7-carbonitrile
Molecular weight213.284
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.6
SynonymsBDBM50169258
SCHEMBL5356309
(4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole-7-carbonitrile
Inchi KeyAAELFMMXNFMCCW-BXKDBHETSA-N
Inchi IDInChI=1S/C13H15N3/c1-9-7-15-8-12-5-11-3-2-10(6-14)4-13(11)16(9)12/h2-4,9,12,15H,5,7-8H2,1H3/t9-,12-/m1/s1
PubChem CID44397731
ChEMBLCHEMBL187888
IUPHARN/A
BindingDB50169258
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1425-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1415-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1435-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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