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Ligand

NameMLS000089738
Molecular formulaC18H21N7O3
IUPAC namepropan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate
Molecular weight383.412
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.5
SynonymsCCG-18121
Oprea1_058712
1-(4-aminofurazan-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid isopropyl ester
cid_1043390
SMR000024356
[ Show all ]
Inchi KeyAXTPHIGRLIBRCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PubChem CID1043390
ChEMBLCHEMBL1568452
IUPHARN/A
BindingDB37688
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17068fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
17071Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
17070N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
17069Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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