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Ligand

NameCHEMBL3753010
Molecular formulaC29H42N4O6
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight542.677
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.4
SynonymsN/A
Inchi KeyKQIPBZDFQCUVDQ-NHZRIVAWSA-N
Inchi IDInChI=1S/C29H42N4O6/c1-5-19(2)26(29(36)30-15-13-21-11-12-23(37-3)25(18-21)38-4)33-27(34)22(17-20-9-7-6-8-10-20)32-28(35)24-14-16-31-39-24/h11-12,14,16,18-20,22,26H,5-10,13,15,17H2,1-4H3,(H,30,36)(H,32,35)(H,33,34)/t19-,22-,26-/m0/s1
PubChem CID127037435
ChEMBLCHEMBL3753010
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526474Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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