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Ligand

NameCHEMBL40667
Molecular formulaC18H21NO2S
IUPAC name(1S,10S)-15-propyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol
Molecular weight315.431
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50057841
SCHEMBL7004880
2-Propyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol
(5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol
Inchi KeyPAUUVJVIWWLQGB-YOEHRIQHSA-N
Inchi IDInChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1
PubChem CID10710466
ChEMBLCHEMBL40667
IUPHARN/A
BindingDB50057841
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
255175D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
255177D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
255176D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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