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Name | CHEMBL3800341 |
---|---|
Molecular formula | C28H32N2O5 |
IUPAC name | 5-hydroxy-8-[2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]-4H-1,4-benzoxazin-3-one |
Molecular weight | 476.573 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.6 |
Synonyms | BDBM50167063 |
Inchi Key | XFQRGEPJIICUBL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32) |
PubChem CID | 127047859 |
ChEMBL | CHEMBL3800341 |
IUPHAR | N/A |
BindingDB | 50167063 |
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 |
---|---|---|---|---|---|
532517 | Beta-1 adrenergic receptor | P34971 | Adrb1 | Mus musculus (Mouse) | 466 |
532515 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
532516 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
532514 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
532513 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
532512 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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