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Ligand

NameCHEMBL3322638
Molecular formulaC27H36N6O7
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(1-methoxypropan-2-ylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
Molecular weight556.62
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.5
SynonymsBDBM50057286
SCHEMBL2583125
Inchi KeyACCCHGARBWTJMA-IJHRGXPZSA-N
Inchi IDInChI=1S/C27H36N6O7/c1-4-40-27(38)33-14-12-32(13-15-33)26(37)20(10-11-23(34)35)30-25(36)21-16-22(28-18(2)17-39-3)31-24(29-21)19-8-6-5-7-9-19/h5-9,16,18,20H,4,10-15,17H2,1-3H3,(H,30,36)(H,34,35)(H,28,29,31)/t18?,20-/m0/s1
PubChem CID12000684
ChEMBLCHEMBL3322638
IUPHARN/A
BindingDB50057286
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
441721P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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