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Ligand

NameCHEMBL569908
Molecular formulaC32H46N6O7
IUPAC name(4S)-4-[[4-[2-(diethylamino)ethoxy]-6-phenylpyrimidine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight626.755
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM50302672
(S)-4-(4-(2-(diethylamino)ethoxy)-6-phenylpyrimidine-2-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyBNZXFJZJPBMAII-VWLOTQADSA-N
Inchi IDInChI=1S/C32H46N6O7/c1-4-7-11-21-45-32(43)38-18-16-37(17-19-38)31(42)25(14-15-28(39)40)34-30(41)29-33-26(24-12-9-8-10-13-24)23-27(35-29)44-22-20-36(5-2)6-3/h8-10,12-13,23,25H,4-7,11,14-22H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1
PubChem CID45485854
ChEMBLCHEMBL569908
IUPHARN/A
BindingDB50302672
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
28577P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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