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Ligand

NameCHEMBL1258628
Molecular formulaC23H21ClN4O4S
IUPAC name[4-chloro-2-[(6S)-3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] propanoate
Molecular weight484.955
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.1
Synonyms[4-chloro-2-[(6S)-3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] propanoate
AC1O49EW
BDBM50416895
ZINC684321
Inchi KeyAGUDNUFHSNLDRP-QFIPXVFZSA-N
Inchi IDInChI=1S/C23H21ClN4O4S/c1-4-18(29)28-16-9-7-6-8-14(16)20-21(25-23(33-3)27-26-20)32-22(28)15-12-13(24)10-11-17(15)31-19(30)5-2/h6-12,22H,4-5H2,1-3H3/t22-/m0/s1
PubChem CID6402092
ChEMBLCHEMBL1258628
IUPHARN/A
BindingDB50416895
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
5212Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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