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Ligand

NameCHEMBL585306
Molecular formulaC25H30N6O5S
IUPAC name3-[[6-ethyl-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid
Molecular weight526.612
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50302438
3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
Inchi KeyAHEBWSLJMXSMMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
PubChem CID45487790
ChEMBLCHEMBL585306
IUPHARN/A
BindingDB50302438
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
5466P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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