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Ligand

NameCHEMBL377697
Molecular formulaC25H40N4O3S
IUPAC nameN-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]cyclopropanecarboxamide
Molecular weight476.68
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL1383630
BDBM50187389
cyclopropanecarboxylic acid {3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-amide
Inchi KeyAKDDQOOXABRYDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H40N4O3S/c30-25(22-11-12-22)27-23-9-6-10-24(19-23)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)20-21-7-2-1-3-8-21/h6,9-10,19,21-22,26H,1-5,7-8,11-18,20H2,(H,27,30)
PubChem CID11511267
ChEMBLCHEMBL377697
IUPHARN/A
BindingDB50187389
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
74505-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
7451Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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