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Ligand

NameCHEMBL2112317
Molecular formulaC27H39N3O4
IUPAC name(8S)-8-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl-propylamino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde;hydrate
Molecular weight469.626
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsBDBM50453697
Inchi KeyCHUHEUVYBZLIPW-BOXHHOBZSA-N
Inchi IDInChI=1S/C27H37N3O3.H2O/c1-4-11-29(12-5-6-13-30-24(32)15-27(2,3)16-25(30)33)21-9-7-19-8-10-23-26(22(19)14-21)20(18-31)17-28-23;/h8,10,17-18,21,28H,4-7,9,11-16H2,1-3H3;1H2/t21-;/m0./s1
PubChem CID71452688
ChEMBLCHEMBL2112317
IUPHARN/A
BindingDB50453697
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
422995-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
423005-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
422965-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
42298D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
42297D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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