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Name | CHEMBL1771112 |
---|---|
Molecular formula | C29H34N4O2 |
IUPAC name | 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-pyridin-4-yl-3,4-dihydroisoquinolin-1-one |
Molecular weight | 470.617 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.3 |
Synonyms | BDBM50342706 3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(4-pyridyl)isoquinolin-1(2H)-one |
Inchi Key | PFLVUDAFKXUKEV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H34N4O2/c1-35-28-7-3-2-6-27(28)32-20-18-31(19-21-32)15-4-5-16-33-17-12-25-22-24(8-9-26(25)29(33)34)23-10-13-30-14-11-23/h2-3,6-11,13-14,22H,4-5,12,15-21H2,1H3 |
PubChem CID | 53327908 |
ChEMBL | CHEMBL1771112 |
IUPHAR | N/A |
BindingDB | 50342706 |
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 |
---|---|---|---|---|---|
258443 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
258441 | D(1A) dopamine receptor | P50130 | DRD1 | Sus scrofa (Pig) | 446 |
258440 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
258442 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
528927 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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