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Name | Aripiprazole lauroxil |
---|---|
Molecular formula | C36H51Cl2N3O4 |
IUPAC name | [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl dodecanoate |
Molecular weight | 660.721 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 10.0 |
Synonyms | RDC 3317 Aripiprazol- Lauroxil BCP14993 UNII-B786J7A343 (7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl dodecanoate [ Show all ] |
Inchi Key | DDINXHAORAAYAD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3 |
PubChem CID | 49831411 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB14185 |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548540 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
548555 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
548537 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
548538 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
548559 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
548552 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
548539 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
548554 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
548542 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
548551 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
548549 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
548545 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
548546 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
548543 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
548541 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
548558 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
548548 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
548557 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
548556 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
548547 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
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