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Ligand

NameCHEMBL3647020
Molecular formulaC33H43N7O
IUPAC name(3S)-1-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-methoxy-N,N-dimethylpyrrolidin-3-amine
Molecular weight553.755
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsN/A
Inchi KeyCHAJUOPMJHESDM-XLTVJXRZSA-N
Inchi IDInChI=1S/C33H43N7O/c1-19(2)23-11-9-20(3)27(15-23)39-14-13-25-24(16-39)33(40-17-28(38(6)7)29(18-40)41-8)35-32(34-25)30-21(4)10-12-26-31(30)22(5)36-37-26/h9-12,15,19,28-29H,13-14,16-18H2,1-8H3,(H,36,37)/t28-,29?/m0/s1
PubChem CID122196638
ChEMBLCHEMBL3647020
IUPHARN/A
BindingDB134588
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
468038C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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