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Name | CHEMBL3586432 |
---|---|
Molecular formula | C21H23N7O |
IUPAC name | [(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone |
Molecular weight | 389.463 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | BDBM50097380 |
Inchi Key | LCDKKZMNYHMDCH-CALCHBBNSA-N |
Inchi ID | InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ |
PubChem CID | 122180336 |
ChEMBL | CHEMBL3586432 |
IUPHAR | N/A |
BindingDB | 50097380 |
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 |
---|---|---|---|---|---|
485678 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
485677 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
485679 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
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