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Ligand

NameCHEMBL3753815
Molecular formulaC29H42N4O5
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[(2-propoxyphenyl)methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight526.678
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.9
SynonymsN/A
Inchi KeyIICFYQSYFWTUAW-CHZKFRDHSA-N
Inchi IDInChI=1S/C29H42N4O5/c1-4-17-37-24-14-10-9-13-22(24)19-30-29(36)26(20(3)5-2)33-27(34)23(18-21-11-7-6-8-12-21)32-28(35)25-15-16-31-38-25/h9-10,13-16,20-21,23,26H,4-8,11-12,17-19H2,1-3H3,(H,30,36)(H,32,35)(H,33,34)/t20-,23-,26-/m0/s1
PubChem CID56639736
ChEMBLCHEMBL3753815
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
525386Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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