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Name | Salmeterol |
---|---|
Molecular formula | C25H37NO4 |
IUPAC name | 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol |
Molecular weight | 415.574 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 3.9 |
Synonyms | HMS2052H13 ( inverted question mark) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol; GR 33343X K590 1,3-Benzenedimethanol, 4-hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)- MolPort-005-933-084 [ Show all ] |
Inchi Key | GIIZNNXWQWCKIB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 |
PubChem CID | 5152 |
ChEMBL | CHEMBL1263 |
IUPHAR | 559 |
BindingDB | 25771 |
DrugBank | DB00938 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
97212 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
97210 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
97211 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
97213 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
524376 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
445531 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
97214 | Galanin receptor type 3 | O60755 | GALR3 | Homo sapiens (Human) | 368 |
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