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Name | CHEMBL507506 |
---|---|
Molecular formula | C26H30N2O4 |
IUPAC name | 4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid |
Molecular weight | 434.536 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.7 |
Synonyms | 4'-[(2R)-2-[[(2R)-2-Hydroxy-2-(3-pyridyl)ethyl]amino]propyl]-3-propoxy-4-biphenylcarboxylic acid BDBM50243392 4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}propyl)-3-propoxy-4-biphenylcarboxylic acid |
Inchi Key | PAMFWLSSFZPHMC-KOSHJBKYSA-N |
Inchi ID | InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/m1/s1 |
PubChem CID | 44560793 |
ChEMBL | CHEMBL507506 |
IUPHAR | N/A |
BindingDB | 50243392 |
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 |
---|---|---|---|---|---|
254892 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
254893 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
254890 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
254891 | Beta-3 adrenergic receptor | O02662 | ADRB3 | Canis lupus familiaris (Dog) | 405 |
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