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Name | CHEMBL1084810 |
---|---|
Molecular formula | C25H31FN4O |
IUPAC name | 2-[4-[3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)propoxy]-2-methylphenyl]-5-fluoro-4-methyl-1H-benzimidazole |
Molecular weight | 422.548 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50319283 (+/-)-5-fluoro-4-methyl-2-(2-methyl-4-(3-(tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)propoxy)phenyl)-1H-benzo[d]imidazole |
Inchi Key | VORZMLWIEYTBEN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H31FN4O/c1-16-13-19(31-12-4-11-30-14-18-5-3-10-27-23(18)15-30)6-7-20(16)25-28-22-9-8-21(26)17(2)24(22)29-25/h6-9,13,18,23,27H,3-5,10-12,14-15H2,1-2H3,(H,28,29) |
PubChem CID | 46890590 |
ChEMBL | CHEMBL1084810 |
IUPHAR | N/A |
BindingDB | 50319283 |
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 |
---|---|---|---|---|---|
360403 | Histamine H4 receptor | Q9H3N8 | HRH4 | Homo sapiens (Human) | 390 |
360404 | Histamine H4 receptor | Q91ZY2 | Hrh4 | Mus musculus (Mouse) | 391 |
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