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Name | CHEMBL1258628 |
---|---|
Molecular formula | C23H21ClN4O4S |
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 weight | 484.955 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.1 |
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 Key | AGUDNUFHSNLDRP-QFIPXVFZSA-N |
Inchi ID | InChI=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 CID | 6402092 |
ChEMBL | CHEMBL1258628 |
IUPHAR | N/A |
BindingDB | 50416895 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5212 | Metabotropic glutamate receptor 5 | P31424 | Grm5 | Rattus norvegicus (Rat) | 1203 |
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