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Name | CHEMBL3586440 |
---|---|
Molecular formula | C22H25N7O |
IUPAC name | [(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone |
Molecular weight | 403.49 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | BDBM50097360 |
Inchi Key | LZBCUAJVFRLZRO-HDICACEKSA-N |
Inchi ID | InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ |
PubChem CID | 122180343 |
ChEMBL | CHEMBL3586440 |
IUPHAR | N/A |
BindingDB | 50097360 |
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 |
---|---|---|---|---|---|
487647 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
487648 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
487649 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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