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Ligand

NameSCHEMBL14671799
Molecular formulaC33H42N6O
IUPAC name2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight538.74
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM134500
US8846656, 19-AF
Inchi KeyBSVQZQJKSVHJKW-KPURRNSFSA-N
Inchi IDInChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)28(16-24)38-14-12-26-25(18-38)33(39-15-13-29(40-7)22(5)17-39)35-32(34-26)30-21(4)9-11-27-31(30)23(6)36-37-27/h8-11,16,19,22,29H,12-15,17-18H2,1-7H3,(H,36,37)/t22-,29-/m1/s1
PubChem CID71244726
ChEMBLN/A
IUPHARN/A
BindingDB134500
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558261C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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