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Name | CHEMBL31714 |
---|---|
Molecular formula | C29H21FN4OS |
IUPAC name | 5-fluoro-2-[(E)-2-[3-[[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]methyl]phenyl]ethenyl]-1,3-benzothiazole |
Molecular weight | 492.572 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | L005985 SCHEMBL9334977 BDBM50284690 CP-96021 1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]-benzyloxy}-phenyl)-2-methyl-1H-imidazo[4,5-c]pyridine [ Show all ] |
Inchi Key | DXTYGLAQRALLEG-LFYBBSHMSA-N |
Inchi ID | InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+ |
PubChem CID | 9848518 |
ChEMBL | CHEMBL31714 |
IUPHAR | N/A |
BindingDB | 50284690 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
71647 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
71649 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
71650 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
71648 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
71651 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
71646 | Platelet-activating factor receptor | P21556 | PTAFR | Cavia porcellus (Guinea pig) | 342 |
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