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Name | CHEMBL328735 |
---|---|
Molecular formula | C26H31N3O5 |
IUPAC name | 3-[4-[(7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-3-yl)methyl]piperazin-1-yl]-1-phenylpropan-1-one |
Molecular weight | 465.55 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | 3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-3-ylmethyl)-piperazin-1-yl]-1-phenyl-propan-1-one BDBM50131358 |
Inchi Key | AWPNMWRTPSQMFC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H31N3O5/c1-31-23-14-19-22(15-24(23)32-2)33-17-20-25(34-27-26(19)20)16-29-12-10-28(11-13-29)9-8-21(30)18-6-4-3-5-7-18/h3-7,14-15,20,25H,8-13,16-17H2,1-2H3 |
PubChem CID | 44325075 |
ChEMBL | CHEMBL328735 |
IUPHAR | N/A |
BindingDB | 50131358 |
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 |
---|---|---|---|---|---|
16254 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
16253 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
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