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Ligand

NameCHEMBL3895158
Molecular formulaC31H44N4O5
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight552.716
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.9
SynonymsN/A
Inchi KeyKLXCDIIZBLXGKF-PTJQVGQKSA-N
Inchi IDInChI=1S/C31H44N4O5/c1-4-21(2)28(31(38)35-18-15-24(16-19-35)23-10-12-25(39-3)13-11-23)34-29(36)26(20-22-8-6-5-7-9-22)33-30(37)27-14-17-32-40-27/h10-14,17,21-22,24,26,28H,4-9,15-16,18-20H2,1-3H3,(H,33,37)(H,34,36)/t21-,26-,28-/m0/s1
PubChem CID56640107
ChEMBLCHEMBL3895158
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
540407Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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