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Ligand

NameCHEMBL3735993
Molecular formulaC25H33N7O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-1-[[2-(1H-indol-3-yl)acetyl]amino]-2-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight511.583
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.3
SynonymsSCHEMBL14952065
Inchi KeyIXUHQJPJNUMHQP-XQAUZQBESA-N
Inchi IDInChI=1S/C25H33N7O5/c1-3-14(2)21(32-20(33)11-15-12-29-17-8-5-4-7-16(15)17)23-31-19(13-37-23)22(34)30-18(24(35)36)9-6-10-28-25(26)27/h4-5,7-8,12-14,18,21,29H,3,6,9-11H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,26,27,28)/t14-,18-,21-/m0/s1
PubChem CID71565506
ChEMBLCHEMBL3735993
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525673C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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