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Name | CHEMBL3298692 |
---|---|
Molecular formula | C32H38N4O6 |
IUPAC name | tert-butyl N-[2-[4-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]anilino]phenoxy]ethyl]carbamate |
Molecular weight | 574.678 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 6 |
XlogP | 3.9 |
Synonyms | BDBM50021877 |
Inchi Key | ABNDMYBELMAXRP-NDEPHWFRSA-N |
Inchi ID | InChI=1S/C32H38N4O6/c1-32(2,3)42-31(40)34-18-19-41-24-10-8-23(9-11-24)35-22-6-4-21(5-7-22)16-17-33-20-28(38)25-12-14-27(37)30-26(25)13-15-29(39)36-30/h4-15,28,33,35,37-38H,16-20H2,1-3H3,(H,34,40)(H,36,39)/t28-/m0/s1 |
PubChem CID | 90645345 |
ChEMBL | CHEMBL3298692 |
IUPHAR | N/A |
BindingDB | 50021877 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
974 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
973 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
975 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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