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Ligand

NameCHEMBL571929
Molecular formulaC32H44N6O6
IUPAC name(4S)-4-[[6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight608.74
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.1
Synonyms(S)-4-(6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
BDBM50302631
Inchi KeyBOUNEKAVTUBALA-VWLOTQADSA-N
Inchi IDInChI=1S/C32H44N6O6/c1-3-4-8-21-44-32(43)38-19-17-37(18-20-38)31(42)25(11-12-28(39)40)34-30(41)26-22-27(36-15-13-23(2)14-16-36)35-29(33-26)24-9-6-5-7-10-24/h5-7,9-10,22-23,25H,3-4,8,11-21H2,1-2H3,(H,34,41)(H,39,40)/t25-/m0/s1
PubChem CID45485913
ChEMBLCHEMBL571929
IUPHARN/A
BindingDB50302631
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
29143P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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