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Ligand

NameCHEMBL568567
Molecular formulaC19H23F3N6O4S
IUPAC name3-[[6-ethyl-4-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]carbamoylamino]propanoic acid
Molecular weight488.486
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP2.0
Synonyms3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
BNUMOPVPBJTHOS-UHFFFAOYSA-N
N-[({6-Ethyl-4-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl}amino)carbonyl]-beta-alanine
SCHEMBL4922588
BDBM50302442
Inchi KeyBNUMOPVPBJTHOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
PubChem CID11950328
ChEMBLCHEMBL568567
IUPHARN/A
BindingDB50302442
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28457P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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