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Name | duloxetine |
---|---|
Molecular formula | C18H19NOS |
IUPAC name | (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine |
Molecular weight | 297.416 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | LY 248686 N-Methyl-gama-(1-naphthalenyloxy)-2-thiophenepropanamine (3s)-N-Methyl-3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-Yl)propan-1-Amine PDSP2_000953 (S)-Duloxetine;LY248686 [ Show all ] |
Inchi Key | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
Inchi ID | InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 |
PubChem CID | 60835 |
ChEMBL | CHEMBL1175 |
IUPHAR | 202 |
BindingDB | 84745 |
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 |
---|---|---|---|---|---|
426623 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
426635 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
426630 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
426636 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
426624 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
426631 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
426619 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
426616 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
557239 | 5-hydroxytryptamine receptor 4 | O70528 | HTR4 | Cavia porcellus (Guinea pig) | 388 |
426622 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
557237 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
426620 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
426610 | Adenosine receptor A2b | Q1LZD0 | ADORA2B | Bos taurus (Bovine) | 332 |
426612 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
557234 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
426626 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
426615 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
557236 | Alpha-2B adrenergic receptor | P30545 | Adra2b | Mus musculus (Mouse) | 450 |
426625 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
462835 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
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