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| Name | CHEMBL29808 |
|---|---|
| Molecular formula | C20H22N4 |
| IUPAC name | 3-[[4-(4-ethenylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine |
| Molecular weight | 318.424 |
| Hydrogen bond acceptor | 3 |
| Hydrogen bond donor | 1 |
| XlogP | 3.5 |
| Synonyms | BDBM50099889 3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine |
| Inchi Key | HGWVDBLPHYBBTH-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22) |
| PubChem CID | 44278115 |
| ChEMBL | CHEMBL29808 |
| IUPHAR | N/A |
| BindingDB | 50099889 |
| 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 |
|---|---|---|---|---|---|
| 114642 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
| 114630 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
| 114636 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
| 114626 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
| 114637 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
| 114628 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
| 114646 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
| 114644 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
| 114632 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
| 114633 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
| 114647 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
| 114629 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
| 114645 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
| 114641 | D(4) dopamine receptor | P30729 | Drd4 | Rattus norvegicus (Rat) | 387 |
| 114643 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
| 114638 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
| 114627 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
| 114640 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
| 114634 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
| 114631 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
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