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Ligand

NameCHEMBL1784932
Molecular formulaC40H56N6O5S
IUPAC name5-(dimethylamino)-N-[7-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]heptyl]naphthalene-1-sulfonamide
Molecular weight732.985
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.5
Synonyms5-(Dimethylamino)-N-{7-[2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]heptyl}naphthalene-1-sulfonamide
BDBM50345696
Inchi KeyAFNGHTWCRNTHHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H56N6O5S/c1-42(2)34-19-13-17-33-32(34)16-14-21-37(33)52(49,50)41-24-10-6-4-5-9-22-40-23-15-27-46(40)39(48)45(38(40)47)26-12-11-25-43-28-30-44(31-29-43)35-18-7-8-20-36(35)51-3/h7-8,13-14,16-21,41H,4-6,9-12,15,22-31H2,1-3H3
PubChem CID54582466
ChEMBLCHEMBL1784932
IUPHARN/A
BindingDB50345696
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
42895-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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