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Ligand

NameCHEMBL1784934
Molecular formulaC40H57N7O5S
IUPAC name5-(dimethylamino)-N-[5-[2-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]ethylamino]pentyl]naphthalene-1-sulfonamide
Molecular weight748.0
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50345698
5-(Dimethylamino)-N-[5-({2-[2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]ethyl}amino)pentyl]naphthalene-1-sulfonamide
Inchi KeyAIYJDZKQHORDMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H57N7O5S/c1-43(2)34-17-11-15-33-32(34)14-12-19-37(33)53(50,51)42-23-8-4-7-22-41-24-21-40-20-13-27-47(40)39(49)46(38(40)48)26-10-9-25-44-28-30-45(31-29-44)35-16-5-6-18-36(35)52-3/h5-6,11-12,14-19,41-42H,4,7-10,13,20-31H2,1-3H3
PubChem CID54582467
ChEMBLCHEMBL1784934
IUPHARN/A
BindingDB50345698
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
66485-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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