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Ligand

NameCHEMBL1532430
Molecular formulaC25H28N4O3
IUPAC name[4-(4-methoxyphenyl)piperazin-1-yl]-(1-morpholin-4-ylisoquinolin-4-yl)methanone
Molecular weight432.524
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsMolPort-007-886-127
HMS1899A09
ZINC33072991
AKOS002060193
MCULE-5320934309
[ Show all ]
Inchi KeyAAIINWFCEIFHHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O3/c1-31-20-8-6-19(7-9-20)27-10-12-29(13-11-27)25(30)23-18-26-24(28-14-16-32-17-15-28)22-5-3-2-4-21(22)23/h2-9,18H,10-17H2,1H3
PubChem CID16031245
ChEMBLCHEMBL1532430
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
462991Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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