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Ligand

NameCHEMBL596939
Molecular formulaC28H36N4O8
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(3-methoxypropoxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight556.616
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50307595
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(3-methoxypropoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
Inchi KeyALRIXYXQZNUOPH-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H36N4O8/c1-3-39-28(37)32-14-12-31(13-15-32)27(36)22(10-11-25(33)34)30-26(35)24-19-21(40-17-7-16-38-2)18-23(29-24)20-8-5-4-6-9-20/h4-6,8-9,18-19,22H,3,7,10-17H2,1-2H3,(H,30,35)(H,33,34)/t22-/m0/s1
PubChem CID45139400
ChEMBLCHEMBL596939
IUPHARN/A
BindingDB50307595
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
8532P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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