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Ligand

NameCHEMBL3325895
Molecular formulaC30H32ClN5O4
IUPAC name[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl] 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxylate
Molecular weight562.067
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50100242
Inchi KeyMFTNUFUMHSJQIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32ClN5O4/c1-4-5-28(37)25-17-32-36(20(25)2)22-7-9-23(10-8-22)40-30(39)26-18-35(27-11-6-21(31)16-24(26)27)19-29(38)34-14-12-33(3)13-15-34/h6-11,16-18H,4-5,12-15,19H2,1-3H3
PubChem CID118711247
ChEMBLCHEMBL3325895
IUPHARN/A
BindingDB50100242
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
449735P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
449736P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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