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Ligand

NameCHEMBL277452
Molecular formulaC34H40N6O2
IUPAC name3-[4-[4-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]butylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
Molecular weight564.734
Hydrogen bond acceptor4
Hydrogen bond donor6
XlogP3.6
SynonymsBDBM50285312
3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]butylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
Inchi KeyCOSYVLIRDFEWDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
PubChem CID44458045
ChEMBLCHEMBL277452
IUPHARN/A
BindingDB50285312
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
469855-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
469835-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
469845-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365

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