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Ligand

NameCHEMBL2172131
Molecular formulaC34H46N8O8
IUPAC nameethyl 4-[(2S)-4-acetamido-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]butanoyl]piperazine-1-carboxylate
Molecular weight694.79
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.4
Synonyms4-[(S)-4-Acetylamino-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid ethyl ester
BDBM50397154
SCHEMBL954442
APIFTIXALFFAGR-XCZPVHLTSA-N
Inchi KeyAPIFTIXALFFAGR-XCZPVHLTSA-N
Inchi IDInChI=1S/C34H46N8O8/c1-3-49-34(48)40-19-17-39(18-20-40)33(47)26(14-15-35-23(2)43)37-31(45)27-21-30(42(38-27)25-11-5-4-6-12-25)50-22-29(44)41-16-8-13-28(41)32(46)36-24-9-7-10-24/h4-6,11-12,21,24,26,28H,3,7-10,13-20,22H2,1-2H3,(H,35,43)(H,36,46)(H,37,45)/t26-,28-/m0/s1
PubChem CID44128900
ChEMBLCHEMBL2172131
IUPHARN/A
BindingDB50397154
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
11005P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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