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Name | Tbhpbo |
---|---|
Molecular formula | C14H21N3O3 |
IUPAC name | 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one |
Molecular weight | 279.34 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 0.5 |
Synonyms | NCGC00015184-05 [3H]-CGP12177 2H-Benzimidazol-2-one,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro- BRD-A34706053-003-01-9 CGP12177 [ Show all ] |
Inchi Key | UMQUQWCJKFOUGV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19) |
PubChem CID | 2687 |
ChEMBL | CHEMBL420746 |
IUPHAR | 532, 5387 |
BindingDB | 50027879, 25747 |
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 |
---|---|---|---|---|---|
340426 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
340427 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
340428 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
554967 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
554968 | Beta-3 adrenergic receptor | P25962 | Adrb3 | Mus musculus (Mouse) | 400 |
340429 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
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