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Name | LEVOBUNOLOL |
---|---|
Molecular formula | C17H25NO3 |
IUPAC name | 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one |
Molecular weight | 291.391 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.4 |
Synonyms | (S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one AC1Q6JRH beta-site CAS-27912-14-7 D08115 [ Show all ] |
Inchi Key | IXHBTMCLRNMKHZ-LBPRGKRZSA-N |
Inchi ID | InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1 |
PubChem CID | 39468 |
ChEMBL | CHEMBL1201237 |
IUPHAR | 570 |
BindingDB | N/A |
DrugBank | DB01210 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
143988 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
143986 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
143987 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
143982 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
553997 | Beta-3 adrenergic receptor | P25962 | Adrb3 | Mus musculus (Mouse) | 400 |
553998 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
143983 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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