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Ligand

NameCHEMBL3646936
Molecular formulaC34H44N6O
IUPAC name2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight552.767
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.1
SynonymsSCHEMBL14671913
BDBM134502
US8846656, 19-AI
Inchi KeyAZVDCMWACRSDFZ-LJAQVGFWSA-N
Inchi IDInChI=1S/C34H44N6O/c1-20(2)24-11-9-21(3)28(17-24)39-15-13-26-25(18-39)33(40-16-14-29(41-8)34(6,7)19-40)36-32(35-26)30-22(4)10-12-27-31(30)23(5)37-38-27/h9-12,17,20,29H,13-16,18-19H2,1-8H3,(H,37,38)/t29-/m0/s1
PubChem CID71244822
ChEMBLCHEMBL3646936
IUPHARN/A
BindingDB134502
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
465142C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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