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Ligand

NameCHEMBL3325652
Molecular formulaC36H44N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]indole-3-carboxamide
Molecular weight608.787
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50055616
Inchi KeyCCIQVHZGLRYWLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H44N6O3/c1-4-9-34(43)31-21-37-42(26(31)3)28-14-12-27(13-15-28)38-36(45)32-23-40(33-16-11-25(2)20-30(32)33)24-35(44)41-19-6-5-10-29(41)22-39-17-7-8-18-39/h11-16,20-21,23,29H,4-10,17-19,22,24H2,1-3H3,(H,38,45)
PubChem CID118711090
ChEMBLCHEMBL3325652
IUPHARN/A
BindingDB50055616
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443207P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
443208P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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