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Ligand

NameCHEMBL1257238
Molecular formulaC20H17BrN4O2S
IUPAC name1-[(6S)-6-(2-bromophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Molecular weight457.346
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsAC1O49IP
1-[(6S)-6-(2-bromophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
BDBM50416988
ZINC684374
Inchi KeyAUNLPQSNOYEJTJ-IBGZPJMESA-N
Inchi IDInChI=1S/C20H17BrN4O2S/c1-3-16(26)25-15-11-7-5-9-13(15)17-18(22-20(28-2)24-23-17)27-19(25)12-8-4-6-10-14(12)21/h4-11,19H,3H2,1-2H3/t19-/m0/s1
PubChem CID6402138
ChEMBLCHEMBL1257238
IUPHARN/A
BindingDB50416988
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
14806Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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