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Ligand

NameCHEMBL3342685
Molecular formulaC23H25N5O4
IUPAC name(2S)-2-[(2-benzhydryl-1,3-oxazole-4-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight435.484
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50028780
SCHEMBL14952355
Inchi KeyBAXWQAVOSJXPIM-KRWDZBQOSA-N
Inchi IDInChI=1S/C23H25N5O4/c24-23(25)26-13-7-12-17(22(30)31)27-20(29)18-14-32-21(28-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17,19H,7,12-13H2,(H,27,29)(H,30,31)(H4,24,25,26)/t17-/m0/s1
PubChem CID71566580
ChEMBLCHEMBL3342685
IUPHARN/A
BindingDB50028780
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
442412C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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