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Ligand

NameCHEMBL3735664
Molecular formulaC22H31N7O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-(pyridine-3-carbonylamino)butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight473.534
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP0.6
SynonymsSCHEMBL16154181
Inchi KeyNJYQYWGTLBASEH-HOTGVXAUSA-N
Inchi IDInChI=1S/C22H31N7O5/c1-12(2)10-16(28-18(30)14-6-4-8-25-11-14)20-29-17(13(3)34-20)19(31)27-15(21(32)33)7-5-9-26-22(23)24/h4,6,8,11-12,15-16H,5,7,9-10H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)(H4,23,24,26)/t15-,16-/m0/s1
PubChem CID117634957
ChEMBLCHEMBL3735664
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
527980C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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