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Ligand

NameMLS000689796
Molecular formulaC21H22N8O4
IUPAC name2-methoxy-6-[(E)-[[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
Molecular weight450.459
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP4.2
Synonyms2-methoxy-6-[[2-[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SMR000313400
AC1OBIEP
CHEMBL3199324
A0421/0019470
[ Show all ]
Inchi KeyANFFIQNEFKVPRN-LPYMAVHISA-N
Inchi IDInChI=1S/C21H22N8O4/c1-33-17-6-4-5-14(18(17)30)13-22-27-20-24-19(25-21(26-20)28-11-2-3-12-28)23-15-7-9-16(10-8-15)29(31)32/h4-10,13,30H,2-3,11-12H2,1H3,(H2,23,24,25,26,27)/b22-13+
PubChem CID135439746
ChEMBLCHEMBL3199324
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557549C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
557550Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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