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Ligand

NameCHEMBL3734935
Molecular formulaC22H38N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(3,3-dimethylbutanoylamino)-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight466.583
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.7
SynonymsSCHEMBL16154185
Inchi KeyLIILRFIVVRIGRP-GJZGRUSLSA-N
Inchi IDInChI=1S/C22H38N6O5/c1-12(2)10-15(26-16(29)11-22(4,5)6)19-28-17(13(3)33-19)18(30)27-14(20(31)32)8-7-9-25-21(23)24/h12,14-15H,7-11H2,1-6H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t14-,15-/m0/s1
PubChem CID117634961
ChEMBLCHEMBL3734935
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526893C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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