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Ligand

NameSCHEMBL16465942
Molecular formulaC23H21ClN6O3
IUPAC name[5-chloro-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
Molecular weight464.91
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.3
SynonymsUS9493446, 417
BDBM257948
Inchi KeyAIKROLIVVRRROF-IBGZPJMESA-N
Inchi IDInChI=1S/C23H21ClN6O3/c1-14-5-8-20(32-2)17(12-14)22-27-21(28-33-22)19-4-3-11-29(19)23(31)16-13-15(24)6-7-18(16)30-25-9-10-26-30/h5-10,12-13,19H,3-4,11H2,1-2H3/t19-/m0/s1
PubChem CID117872784
ChEMBLN/A
IUPHARN/A
BindingDB257948
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
536098Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536099Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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