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| Name | AC1NKXXY |
|---|---|
| Molecular formula | C17H19N3O |
| IUPAC name | 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate |
| Molecular weight | 281.359 |
| Hydrogen bond acceptor | 2 |
| Hydrogen bond donor | 2 |
| XlogP | 3.3 |
| Synonyms | AKOS005707227 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate MCULE-3004652227 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate MolPort-000-771-097 [ Show all ] |
| Inchi Key | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) |
| PubChem CID | 4920903 |
| ChEMBL | CHEMBL597 |
| IUPHAR | 502 |
| BindingDB | 31046 |
| DrugBank | DB00692 |
Structure |  |
| Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 212189 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
| 212202 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
| 212215 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
| 212209 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
| 212200 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
| 556318 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
| 212204 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
| 212192 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
| 212218 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
| 556317 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
| 212186 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
| 212194 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
| 212207 | Alpha-1A adrenergic receptor | P18130 | ADRA1A | Bos taurus (Bovine) | 466 |
| 212212 | Alpha-1A adrenergic receptor | O02824 | ADRA1A | Oryctolagus cuniculus (Rabbit) | 466 |
| 212191 | Alpha-1B adrenergic receptor | P18841 | ADRA1B | Mesocricetus auratus (Golden hamster) | 515 |
| 212193 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
| 212206 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
| 212203 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
| 212208 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
| 212188 | Alpha-2A adrenergic receptor | P18871 | ADRA2A | Sus scrofa (Pig) | 450 |
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