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Ligand

NameCHEMBL569912
Molecular formulaC31H41N5O6S
IUPAC name(4S)-4-[(6-cyclopentylsulfanyl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight611.758
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50302680
(S)-4-(6-(cyclopentylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Inchi KeyAGTQKMKCEYTVNM-DEOSSOPVSA-N
Inchi IDInChI=1S/C31H41N5O6S/c1-2-3-9-20-42-31(41)36-18-16-35(17-19-36)30(40)24(14-15-27(37)38)33-29(39)25-21-26(43-23-12-7-8-13-23)34-28(32-25)22-10-5-4-6-11-22/h4-6,10-11,21,23-24H,2-3,7-9,12-20H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
PubChem CID45485882
ChEMBLCHEMBL569912
IUPHARN/A
BindingDB50302680
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
5200P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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