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Name | CHEMBL3586437 |
---|---|
Molecular formula | C21H23N7O |
IUPAC name | [(3aS,6aR)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone |
Molecular weight | 389.463 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | BDBM50097379 |
Inchi Key | NYDBXNHNMPHNGA-IYBDPMFKSA-N |
Inchi ID | InChI=1S/C21H23N7O/c1-13-7-14(2)25-21(24-13)28-10-15-8-27(9-16(15)11-28)20(29)18-6-4-3-5-17(18)19-22-12-23-26-19/h3-7,12,15-16H,8-11H2,1-2H3,(H,22,23,26)/t15-,16+ |
PubChem CID | 122180340 |
ChEMBL | CHEMBL3586437 |
IUPHAR | N/A |
BindingDB | 50097379 |
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 |
---|---|---|---|---|---|
492075 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
492076 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
492077 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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