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Ligand

NameCHEMBL562485
Molecular formulaC26H32N4O8
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-hydroxyethoxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight528.562
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP0.9
Synonyms(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(2-hydroxyethoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
BDBM50298149
(S)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-4-(4-(2-hydroxyethoxy)-6-phenylpicolinamido)-5-oxopentanoic acid
Inchi KeyBETOWLYEFWQDAS-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H32N4O8/c1-2-37-26(36)30-12-10-29(11-13-30)25(35)20(8-9-23(32)33)28-24(34)22-17-19(38-15-14-31)16-21(27-22)18-6-4-3-5-7-18/h3-7,16-17,20,31H,2,8-15H2,1H3,(H,28,34)(H,32,33)/t20-/m0/s1
PubChem CID45267738
ChEMBLCHEMBL562485
IUPHARN/A
BindingDB50298149
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
21904P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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