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Ligand

NameCHEMBL3325793
Molecular formulaC31H35ClN6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
Molecular weight575.11
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50055852
Inchi KeyBXJRGWPXDMUJRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35ClN6O3/c1-5-6-29(39)25-17-33-38(21(25)3)23-9-7-22(8-10-23)34-31(41)26-18-37(28-15-20(2)27(32)16-24(26)28)19-30(40)36-13-11-35(4)12-14-36/h7-10,15-18H,5-6,11-14,19H2,1-4H3,(H,34,41)
PubChem CID118711182
ChEMBLCHEMBL3325793
IUPHARN/A
BindingDB50055852
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
443069P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
443070P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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