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Ligand

NameCHEMBL3326903
Molecular formulaC26H30N4O5
IUPAC name4-[2-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoylamino]-4-methylphenoxy]butanoic acid
Molecular weight478.549
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50100314
Inchi KeyUGZSBJYXIDPTIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)
PubChem CID118711970
ChEMBLCHEMBL3326903
IUPHARN/A
BindingDB50100314
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
455071P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
455072P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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