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Name | CHEMBL1771109 |
---|---|
Molecular formula | C28H33N3O3 |
IUPAC name | 6-(furan-2-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one |
Molecular weight | 459.59 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.5 |
Synonyms | BDBM50342715 3,4-Dihydro-6-(2-furyl)-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]isoquinolin-1(2H)-one |
Inchi Key | NEDWSVCVHMJKSZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H33N3O3/c1-33-27-8-3-2-7-25(27)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(26-9-6-20-34-26)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3 |
PubChem CID | 54580906 |
ChEMBL | CHEMBL1771109 |
IUPHAR | N/A |
BindingDB | 50342715 |
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 |
---|---|---|---|---|---|
221144 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
221142 | D(1A) dopamine receptor | P50130 | DRD1 | Sus scrofa (Pig) | 446 |
221143 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
221141 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
527848 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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