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Name | CHEMBL326085 |
---|---|
Molecular formula | C24H28O7 |
IUPAC name | [(1S)-1-(1,6-dimethoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate |
Molecular weight | 428.481 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.6 |
Synonyms | Acetic acid (S)-1-(4,11-dimethoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester BDBM50281512 |
Inchi Key | KCGSFIODCSTCQI-IBGZPJMESA-N |
Inchi ID | InChI=1S/C24H28O7/c1-13(2)9-19(30-15(4)25)17-7-8-18-21(23(17)28-6)24(26)29-12-16-10-14(3)11-20(27-5)22(16)31-18/h7-8,10-11,13,19H,9,12H2,1-6H3/t19-/m0/s1 |
PubChem CID | 44342196 |
ChEMBL | CHEMBL326085 |
IUPHAR | N/A |
BindingDB | 50281512 |
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 |
---|---|---|---|---|---|
165714 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
165713 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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