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Name | CHEMBL426629 |
---|---|
Molecular formula | C28H33N3O2 |
IUPAC name | N-[4-[(4aS)-10-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide |
Molecular weight | 443.591 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | Naphthalene-2-carboxylic acid [4-((S)-10-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-butyl]-amide BDBM50166022 |
Inchi Key | XLHPOAMYVQMRPZ-VWLOTQADSA-N |
Inchi ID | InChI=1S/C28H33N3O2/c1-33-26-10-6-9-22-13-14-25-20-30(17-18-31(25)27(22)26)16-5-4-15-29-28(32)24-12-11-21-7-2-3-8-23(21)19-24/h2-3,6-12,19,25H,4-5,13-18,20H2,1H3,(H,29,32)/t25-/m0/s1 |
PubChem CID | 11775107 |
ChEMBL | CHEMBL426629 |
IUPHAR | N/A |
BindingDB | 50166022 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
394874 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
394873 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
394875 | D(4) dopamine receptor | P30729 | Drd4 | Rattus norvegicus (Rat) | 387 |
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