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Ligand

NameCHEMBL350153
Molecular formulaC28H36N4O2
IUPAC name(4S)-4-[[3-[2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
Molecular weight460.622
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50074162
(S)-4-[3-(2-{(S)-3-[(Benzyl-methyl-amino)-methyl]-pyrrolidin-1-yl}-ethyl)-1H-indol-5-ylmethyl]-3-methyl-oxazolidin-2-one
Inchi KeyBDAPYHMNZXWDPN-ZCYQVOJMSA-N
Inchi IDInChI=1S/C28H36N4O2/c1-30(17-21-6-4-3-5-7-21)18-23-10-12-32(19-23)13-11-24-16-29-27-9-8-22(15-26(24)27)14-25-20-34-28(33)31(25)2/h3-9,15-16,23,25,29H,10-14,17-20H2,1-2H3/t23-,25-/m0/s1
PubChem CID10600063
ChEMBLCHEMBL350153
IUPHARN/A
BindingDB50074162
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
207395-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
207385-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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