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Name | CHEMBL28651 |
---|---|
Molecular formula | C19H22N4S |
IUPAC name | 3-[[4-(4-methylsulfanylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine |
Molecular weight | 338.473 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | 3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine BDBM50099892 SCHEMBL5199201 |
Inchi Key | TYDSNTMUQPPTLL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21) |
PubChem CID | 10020040 |
ChEMBL | CHEMBL28651 |
IUPHAR | N/A |
BindingDB | 50099892 |
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 |
---|---|---|---|---|---|
330357 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
330354 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
330353 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
330342 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
330358 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
330360 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
330345 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
330340 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
330343 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
330344 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
330355 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
330349 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
330341 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
330356 | D(4) dopamine receptor | P30729 | Drd4 | Rattus norvegicus (Rat) | 387 |
330346 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
330351 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
330359 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
330347 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
330350 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
330339 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
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