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Ligand

NameCHEMBL17828
Molecular formulaC35H42N6O2
IUPAC name3-[4-[5-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]pentylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
Molecular weight578.761
Hydrogen bond acceptor4
Hydrogen bond donor6
XlogP4.0
SynonymsBDBM50285318
3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]pentylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
Inchi KeyFXKBWZCJAKRZGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
PubChem CID44457909
ChEMBLCHEMBL17828
IUPHARN/A
BindingDB50285318
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
896775-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
896755-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
896765-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365

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