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Ligand

NameCHEMBL3325647
Molecular formulaC32H38N6O3
IUPAC nameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight554.695
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50055585
Inchi KeyRYRBGIXYFZXZMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38N6O3/c1-6-7-30(39)27-17-33-38(22(27)3)24-11-9-23(10-12-24)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36-15-14-25(18-36)35(4)5/h8-13,16-17,19,25H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
PubChem CID118711085
ChEMBLCHEMBL3325647
IUPHARN/A
BindingDB50055585
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
453947P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
453948P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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