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Ligand

NameCHEMBL136531
Molecular formulaC16H22N2O2
IUPAC nameN-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]butanamide
Molecular weight274.364
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.4
SynonymsN-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide
SCHEMBL6584731
BDBM50136402
N-[(3S)-1-(2,3-Dihydrobenzofuran-4-yl)-3-pyrrolidinyl]butanamide
Inchi KeyAUJCIORXQAONNC-LBPRGKRZSA-N
Inchi IDInChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
PubChem CID44358146
ChEMBLCHEMBL136531
IUPHARN/A
BindingDB50136402
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
14678Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
14679Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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