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Ligand

NameMLS000114342
Molecular formulaC18H18ClNO3
IUPAC name5-chloro-2-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight331.796
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.2
SynonymsAKOS000590665
cid_2930337
5-chloro-2-(3,4-dihydro-1H-2-benzopyran-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
BDBM42484
5-Chloro-2-isochroman-3-ylmethyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
[ Show all ]
Inchi KeyAWCKGOAGXDNJHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClNO3/c19-13-5-6-15-16(8-13)18(22)20(17(15)21)9-14-7-11-3-1-2-4-12(11)10-23-14/h1-5,14-16H,6-10H2
PubChem CID2930337
ChEMBLCHEMBL1468490
IUPHARN/A
BindingDB42484
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15876Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
15875Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
15874Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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