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Ligand

NameCHEMBL3325801
Molecular formulaC32H37ClN6O4
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight605.136
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50100193
SCHEMBL13505807
Inchi KeyOWLZQCCDGDPNOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37ClN6O4/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
PubChem CID66576296
ChEMBLCHEMBL3325801
IUPHARN/A
BindingDB50100193
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
451641P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
451642P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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