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Ligand

NameCHEMBL3735568
Molecular formulaC25H32N6O5S
IUPAC name(2S)-2-[[2-[(1S)-1-(1-benzothiophene-2-carbonylamino)-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight528.628
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.0
SynonymsSCHEMBL16154177
Inchi KeyJCAHIHDOMAWKEB-IRXDYDNUSA-N
Inchi IDInChI=1S/C25H32N6O5S/c1-13(2)11-17(30-21(32)19-12-15-7-4-5-9-18(15)37-19)23-31-20(14(3)36-23)22(33)29-16(24(34)35)8-6-10-28-25(26)27/h4-5,7,9,12-13,16-17H,6,8,10-11H2,1-3H3,(H,29,33)(H,30,32)(H,34,35)(H4,26,27,28)/t16-,17-/m0/s1
PubChem CID117634953
ChEMBLCHEMBL3735568
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525760C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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