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Name | CHEMBL386016 |
---|---|
Molecular formula | C27H31N5O5 |
IUPAC name | 6-[4-[2-[[(2S)-2-hydroxy-3-[(3-methyl-2-oxo-1H-benzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide |
Molecular weight | 505.575 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 1.9 |
Synonyms | BDBM50193803 (S)-6-(4-(2-(2-hydroxy-3-(3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide |
Inchi Key | BWFZVCAHTKYRFD-IBGZPJMESA-N |
Inchi ID | InChI=1S/C27H31N5O5/c1-27(2,13-17-7-10-20(11-8-17)37-23-12-9-18(14-29-23)25(28)34)30-15-19(33)16-36-22-6-4-5-21-24(22)32(3)26(35)31-21/h4-12,14,19,30,33H,13,15-16H2,1-3H3,(H2,28,34)(H,31,35)/t19-/m0/s1 |
PubChem CID | 44419332 |
ChEMBL | CHEMBL386016 |
IUPHAR | N/A |
BindingDB | 50193803 |
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 |
---|---|---|---|---|---|
34404 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
34402 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
34401 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
34403 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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