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Ligand

NameCHEMBL2172278
Molecular formulaC26H33N5O9
IUPAC name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Molecular weight559.576
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP1.6
Synonyms4-{(S)-4-Carboxy-2-[(5-ethoxycarbonylmethoxy-1-phenyl-1H-pyrazole-3-carbonyl)-amino]-butyryl}-piperazine-1-carboxylic acid ethyl ester
BDBM50397201
SCHEMBL1143855
AMKNFZWJYVUBKH-IBGZPJMESA-N
Inchi KeyAMKNFZWJYVUBKH-IBGZPJMESA-N
Inchi IDInChI=1S/C26H33N5O9/c1-3-38-23(34)17-40-21-16-20(28-31(21)18-8-6-5-7-9-18)24(35)27-19(10-11-22(32)33)25(36)29-12-14-30(15-13-29)26(37)39-4-2/h5-9,16,19H,3-4,10-15,17H2,1-2H3,(H,27,35)(H,32,33)/t19-/m0/s1
PubChem CID44125995
ChEMBLCHEMBL2172278
IUPHARN/A
BindingDB50397201
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
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GLASS IDNameUniProtGeneSpeciesLength
8989P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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