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Name | CHEMBL3586426 |
---|---|
Molecular formula | C23H24N4OS |
IUPAC name | [(3aS,6aR)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone |
Molecular weight | 404.532 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | BDBM50097388 |
Inchi Key | LZTSTMNHWRCGAK-HDICACEKSA-N |
Inchi ID | InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ |
PubChem CID | 122180330 |
ChEMBL | CHEMBL3586426 |
IUPHAR | N/A |
BindingDB | 50097388 |
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 |
---|---|---|---|---|---|
487711 | Orexin receptor type 1 | O43613 | HCRTR1 | Homo sapiens (Human) | 425 |
487710 | Orexin receptor type 2 | P56719 | Hcrtr2 | Rattus norvegicus (Rat) | 460 |
487712 | Orexin receptor type 2 | O43614 | HCRTR2 | Homo sapiens (Human) | 444 |
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