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Ligand

NameBDBM160641
Molecular formulaC20H22FN5
IUPAC name3-(cyclopropylmethyl)-N-[[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
Molecular weight351.429
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsUS9682980, 8-Chloro-3-(cyclopropylmethyl)-N-(((1S,2S)-2-(4-fluorophenyl)cyclopropyl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
Inchi KeyAHKOVEKGGNOLDY-WBVHZDCISA-N
Inchi IDInChI=1S/C20H22FN5/c1-12-18(11-23-26-19(8-13-2-3-13)24-25-20(12)26)22-10-15-9-17(15)14-4-6-16(21)7-5-14/h4-7,11,13,15,17,22H,2-3,8-10H2,1H3/t15-,17+/m1/s1
PubChem CID132471142
ChEMBLN/A
IUPHARN/A
BindingDB160641
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
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GLASS IDNameUniProtGeneSpeciesLength
557436Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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