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Ligand

NameCHEMBL3976309
Molecular formulaC33H53N5O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[(1S,4aR,8aR)-1-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight599.817
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.5
SynonymsN/A
Inchi KeyKASJVGSJSJXIER-ZRDWDXOKSA-N
Inchi IDInChI=1S/C33H53N5O5/c1-6-21(2)27(32(42)38-19-17-23-14-10-11-15-24(23)28(38)31(41)37-33(3,4)5)36-29(39)25(20-22-12-8-7-9-13-22)35-30(40)26-16-18-34-43-26/h16,18,21-25,27-28H,6-15,17,19-20H2,1-5H3,(H,35,40)(H,36,39)(H,37,41)/t21-,23+,24+,25-,27-,28-/m0/s1
PubChem CID134152055
ChEMBLCHEMBL3976309
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
549976Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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