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Ligand

NameCHEMBL568148
Molecular formulaC28H31N5O3S
IUPAC name[4-[2-[[(2R)-2,3-dihydroxypropyl]amino]-6-ethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight517.648
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.0
SynonymsSCHEMBL4899646
(R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)methanone
BDBM50302459
Inchi KeyBQMFRENFUXBROP-JOCHJYFZSA-N
Inchi IDInChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1
PubChem CID11670815
ChEMBLCHEMBL568148
IUPHARN/A
BindingDB50302459
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30445P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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