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Ligand

NameCHEMBL384677
Molecular formulaC21H34N4O3S
IUPAC nameN-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide
Molecular weight422.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL1385592
BDBM50187386
N-(3-{4-[1-(propane-2-sulfonyl)-piperidin-4-ylmethyl]-piperizine-1-yl}-phenyl)-acetamide
Inchi KeyIKQRMTVLIXROJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)
PubChem CID11524646
ChEMBLCHEMBL384677
IUPHARN/A
BindingDB50187386
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
1355815-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
135580Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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