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Name | CHEMBL3797205 |
---|---|
Molecular formula | C28H32N2O6 |
IUPAC name | 5-hydroxy-8-[(1S)-1-hydroxy-2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]-4H-1,4-benzoxazin-3-one |
Molecular weight | 492.572 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 3.5 |
Synonyms | BDBM50166980 |
Inchi Key | VAGMAHDJGBPZIB-HSZRJFAPSA-N |
Inchi ID | InChI=1S/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/m1/s1 |
PubChem CID | 127045854 |
ChEMBL | CHEMBL3797205 |
IUPHAR | N/A |
BindingDB | 50166980 |
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 |
---|---|---|---|---|---|
531380 | Beta-1 adrenergic receptor | P34971 | Adrb1 | Mus musculus (Mouse) | 466 |
531382 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
531381 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
531379 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
531383 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
531384 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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