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Ligand

NameCHEMBL597980
Molecular formulaC27H35N5O7
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-[2-hydroxyethyl(methyl)amino]-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight541.605
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50307597
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-[({4-[(2-hydroxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
Inchi KeyAMFNYBSTPDJKKA-NRFANRHFSA-N
Inchi IDInChI=1S/C27H35N5O7/c1-3-39-27(38)32-13-11-31(12-14-32)26(37)21(9-10-24(34)35)29-25(36)23-18-20(30(2)15-16-33)17-22(28-23)19-7-5-4-6-8-19/h4-8,17-18,21,33H,3,9-16H2,1-2H3,(H,29,36)(H,34,35)/t21-/m0/s1
PubChem CID46233451
ChEMBLCHEMBL597980
IUPHARN/A
BindingDB50307597
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
8838P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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