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Ligand

NameCHEMBL1257467
Molecular formulaC22H20N4O3S
IUPAC name1-[(6S)-3-methylsulfanyl-6-(4-prop-2-enoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Molecular weight420.487
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsAC1O4GSV
1-[(6S)-3-methylsulfanyl-6-(4-prop-2-enoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
BDBM50416960
ZINC2073805
Inchi KeyAVHKAPNQTJIMCD-NRFANRHFSA-N
Inchi IDInChI=1S/C22H20N4O3S/c1-4-13-28-16-11-9-15(10-12-16)21-26(14(2)27)18-8-6-5-7-17(18)19-20(29-21)23-22(30-3)25-24-19/h4-12,21H,1,13H2,2-3H3/t21-/m0/s1
PubChem CID6405862
ChEMBLCHEMBL1257467
IUPHARN/A
BindingDB50416960
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15295Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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