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Ligand

NameSCHEMBL2522996
Molecular formulaC28H39N3O3
IUPAC name(2S)-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]pyrrolidine-2-carboxamide
Molecular weight465.638
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.9
SynonymsCHEMBL3715014
Inchi KeyDNPVFKNEACMXLY-NUMWWEBUSA-N
Inchi IDInChI=1S/C28H39N3O3/c1-4-9-20(2)19-34-24-15-13-23(14-16-24)26(18-30-28(33)25-12-8-17-29-25)31-27(32)21(3)22-10-6-5-7-11-22/h5-7,10-11,13-16,20-21,25-26,29H,4,8-9,12,17-19H2,1-3H3,(H,30,33)(H,31,32)/t20?,21-,25-,26-/m0/s1
PubChem CID51354740
ChEMBLCHEMBL3715014
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523445Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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