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Ligand

NameCHEMBL3741194
Molecular formulaC25H26N2O5S
IUPAC name[5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]methanone
Molecular weight466.552
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsN/A
Inchi KeyYGELRKYVOFQALB-SFHVURJKSA-N
Inchi IDInChI=1S/C25H26N2O5S/c1-15-26-23(24(33-15)17-7-9-20-22(13-17)32-14-31-20)25(28)27-10-4-5-18(27)11-16-6-8-19(29-2)21(12-16)30-3/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1
PubChem CID127038821
ChEMBLCHEMBL3741194
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533100Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
533101Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
533099Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
533102Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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