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Ligand

NameCHEMBL3325787
Molecular formulaC32H36N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
Molecular weight552.679
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50055845
Inchi KeyQADYICPXCLUKAL-DQEYMECFSA-N
Inchi IDInChI=1S/C32H36N6O3/c1-5-6-30(39)27-15-33-38(21(27)3)23-10-8-22(9-11-23)34-32(41)28-18-36(29-12-7-20(2)13-26(28)29)19-31(40)37-17-24-14-25(37)16-35(24)4/h7-13,15,18,24-25H,5-6,14,16-17,19H2,1-4H3,(H,34,41)/t24-,25-/m0/s1
PubChem CID118711179
ChEMBLCHEMBL3325787
IUPHARN/A
BindingDB50055845
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
452496P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
452497P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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