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Name | CHEMBL146989 |
---|---|
Molecular formula | C21H28N2O2 |
IUPAC name | (3aR,7aS)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione |
Molecular weight | 340.467 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | 2-[4-[3,4-Dihydroisoquinoline-2(1H)-yl]butyl]-3aalpha,4,5,6,7,7aalpha-hexahydroisoindoline-1,3-dione (3aS,7aR)-2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-hexahydro-isoindole-1,3-dione BDBM50083043 |
Inchi Key | ACGHBLOHNBYBKB-KDURUIRLSA-N |
Inchi ID | InChI=1S/C21H28N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-2,7-8,18-19H,3-6,9-15H2/t18-,19+ |
PubChem CID | 10831039 |
ChEMBL | CHEMBL146989 |
IUPHAR | N/A |
BindingDB | 50083043 |
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 |
---|---|---|---|---|---|
1541 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
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