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Ligand

NameCHEMBL3325803
Molecular formulaC33H38ClN7O4
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight632.162
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50100197
Inchi KeyLTWFESYJBOYMLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38ClN7O4/c1-5-6-30(42)27-18-35-41(22(27)2)25-10-8-24(9-11-25)36-33(45)28-19-40(29-12-7-23(34)17-26(28)29)21-32(44)39-15-13-38(14-16-39)20-31(43)37(3)4/h7-12,17-19H,5-6,13-16,20-21H2,1-4H3,(H,36,45)
PubChem CID118711191
ChEMBLCHEMBL3325803
IUPHARN/A
BindingDB50100197
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449409P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
449410P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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