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Ligand

NameCHEMBL3969992
Molecular formulaC33H41N5O
IUPAC name4-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight523.725
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.8
SynonymsN/A
Inchi KeyBFWRYQRIENLSFO-YUDQIZAISA-N
Inchi IDInChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)29(16-24)37-14-12-27-26(19-37)33(38-15-13-30(39-6)23(5)18-38)36-32(35-27)25-8-7-9-28-31(25)22(4)17-34-28/h7-11,16-17,20,23,30,34H,12-15,18-19H2,1-6H3/t23-,30+/m0/s1
PubChem CID134153208
ChEMBLCHEMBL3969992
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
548142C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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