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Ligand

NameCHEMBL3667560
Molecular formulaC19H21ClN2O3S2
IUPAC name(2S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
Molecular weight424.958
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM154933
US9000029, 12
Inchi KeyABXMPGQGXIVRSU-SFHVURJKSA-N
Inchi IDInChI=1S/C19H21ClN2O3S2/c1-13-8-9-16(12-17(13)20)27(24,25)22-10-4-7-18(22)19(23)21-14-5-3-6-15(11-14)26-2/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23)/t18-/m0/s1
PubChem CID56847521
ChEMBLCHEMBL3667560
IUPHARN/A
BindingDB154933
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
1289Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
1290Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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