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Ligand

NameCHEMBL3902619
Molecular formulaC35H46N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S)-3-cyclohexyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight586.777
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.9
SynonymsSCHEMBL15120082
Inchi KeyBJPKJJOYMBHWQP-KYJUHHDHSA-N
Inchi IDInChI=1S/C35H46N4O4/c40-32(29(23-25-9-3-1-4-10-25)37-33(41)31-16-20-36-43-31)38-30(24-26-11-5-2-6-12-26)34(42)39-21-18-35(19-22-39)17-15-27-13-7-8-14-28(27)35/h7-8,13-17,20,25-26,29-30H,1-6,9-12,18-19,21-24H2,(H,37,41)(H,38,40)/t29-,30-/m0/s1
PubChem CID89697553
ChEMBLCHEMBL3902619
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
536635Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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