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Name | CHEMBL434763 |
---|---|
Molecular formula | C29H35N5O5 |
IUPAC name | 6-[4-[2-[[(2S)-2-hydroxy-3-[(2-oxo-3-propyl-1H-benzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide |
Molecular weight | 533.629 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 2.8 |
Synonyms | BDBM50193806 (S)-6-(4-(2-(2-hydroxy-3-(2-oxo-3-propyl-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide |
Inchi Key | BHDFOPDSNPFXBU-NRFANRHFSA-N |
Inchi ID | InChI=1S/C29H35N5O5/c1-4-14-34-26-23(33-28(34)37)6-5-7-24(26)38-18-21(35)17-32-29(2,3)15-19-8-11-22(12-9-19)39-25-13-10-20(16-31-25)27(30)36/h5-13,16,21,32,35H,4,14-15,17-18H2,1-3H3,(H2,30,36)(H,33,37)/t21-/m0/s1 |
PubChem CID | 44419324 |
ChEMBL | CHEMBL434763 |
IUPHAR | N/A |
BindingDB | 50193806 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
23651 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
23653 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
23652 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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