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Ligand

NameCHEMBL578482
Molecular formulaC35H50N6O7
IUPAC namepentyl 4-[(2S)-2-[[4-[[2-(dimethylamino)acetyl]amino]-6-phenylpyridine-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
Molecular weight666.82
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50307564
(4S)4-[({4-[(N,N-Dimethylglycyl)mino]-6-phenylpyridin-2-yl}carbonyl)mino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid
Inchi KeyANKCAPALFVNBKG-MHZLTWQESA-N
Inchi IDInChI=1S/C35H50N6O7/c1-7-8-12-21-47-34(46)41-19-17-40(18-20-41)33(45)27(15-16-31(43)48-35(2,3)4)38-32(44)29-23-26(36-30(42)24-39(5)6)22-28(37-29)25-13-10-9-11-14-25/h9-11,13-14,22-23,27H,7-8,12,15-21,24H2,1-6H3,(H,38,44)(H,36,37,42)/t27-/m0/s1
PubChem CID46233232
ChEMBLCHEMBL578482
IUPHARN/A
BindingDB50307564
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
9631P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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