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| Name | CHEMBL283036 |
|---|---|
| Molecular formula | C19H19F3N4 |
| IUPAC name | 3-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine |
| Molecular weight | 360.384 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 1 |
| XlogP | 3.6 |
| Synonyms | BDBM50099891 L011518 3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine SCHEMBL5196333 |
| Inchi Key | BFQIOOYNLCWKIJ-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24) |
| PubChem CID | 19958494 |
| ChEMBL | CHEMBL283036 |
| IUPHAR | N/A |
| BindingDB | 50099891 |
| 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 |
|---|---|---|---|---|---|
| 22546 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
| 22553 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
| 22561 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
| 22551 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
| 22541 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
| 22555 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
| 22552 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
| 22540 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
| 22544 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
| 22542 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
| 22545 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
| 22559 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
| 22557 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
| 22549 | D(4) dopamine receptor | P30729 | Drd4 | Rattus norvegicus (Rat) | 387 |
| 22547 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
| 22539 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
| 22543 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
| 22554 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
| 22558 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
| 22560 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
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