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| Name | CHEMBL217053 |
|---|---|
| Molecular formula | C18H13BrN2O4 |
| IUPAC name | 2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid |
| Molecular weight | 401.216 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 1 |
| XlogP | 3.5 |
| Synonyms | 4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid CTK3C5717 Acetic acid, [4-bromo-2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy]- DTXSID10469987 AKOS030574625 [ Show all ] |
| Inchi Key | DMFOOUGJUFPBOG-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23) |
| PubChem CID | 11647012 |
| ChEMBL | CHEMBL217053 |
| IUPHAR | N/A |
| BindingDB | 50200271 |
| 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 |
|---|---|---|---|---|---|
| 63644 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
| 63641 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
| 63631 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
| 63653 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
| 63632 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
| 63638 | Chemokine-like receptor 1 | Q99788 | CMKLR1 | Homo sapiens (Human) | 373 |
| 63635 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
| 63654 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
| 63652 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
| 63636 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
| 63637 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
| 63647 | fMet-Leu-Phe receptor | P21462 | FPR1 | Homo sapiens (Human) | 350 |
| 63643 | Gastric inhibitory polypeptide receptor | P48546 | GIPR | Homo sapiens (Human) | 466 |
| 63642 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
| 63639 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
| 63634 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
| 63630 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
| 63649 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
| 63648 | Platelet-activating factor receptor | P25105 | PTAFR | Homo sapiens (Human) | 342 |
| 63633 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
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