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Ligand

NameSMR000635310
Molecular formulaC27H28N6O5S
IUPAC nameN-(2,4-dimethoxyphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight548.618
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.8
SynonymsChemDiv1_016204
AC1O7QY0
Oprea1_199939
MLS001030568
MLS003882395
[ Show all ]
Inchi KeyAEBNNQRLVCYSEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O5S/c1-17-23-26(39-24(17)25(35)30-19-8-7-18(37-2)14-20(19)38-3)29-16-33(27(23)36)15-22(34)32-12-10-31(11-13-32)21-6-4-5-9-28-21/h4-9,14,16H,10-13,15H2,1-3H3,(H,30,35)
PubChem CID6616991
ChEMBLCHEMBL1524780
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
463283Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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