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Ligand

NameCHEMBL3183290
Molecular formulaC24H29N5O3S
IUPAC nameN-cyclohexyl-2-[3-[(4-methoxyphenyl)methyl]-4-oxopteridin-2-yl]sulfanylbutanamide
Molecular weight467.588
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsHMS1860M01
AKOS001892493
N-cyclohexyl-2-{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropteridin-2-yl]thio}butanamide
MCULE-5742254431
AKOS021617876
[ Show all ]
Inchi KeyADZJVHRMXQMAJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O3S/c1-3-19(22(30)27-17-7-5-4-6-8-17)33-24-28-21-20(25-13-14-26-21)23(31)29(24)15-16-9-11-18(32-2)12-10-16/h9-14,17,19H,3-8,15H2,1-2H3,(H,27,30)
PubChem CID16017641
ChEMBLCHEMBL3183290
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463275Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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