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Name | CHEMBL418308 |
---|---|
Molecular formula | C35H32N4O3S2 |
IUPAC name | N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide |
Molecular weight | 620.786 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 6.0 |
Synonyms | BDBM50091784 N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-naphthalen-2-ylmethyl-thiazol-2-yl)-benzenesulfonamide SCHEMBL8085550 |
Inchi Key | ADOUHIKUSVYGDB-UMSFTDKQSA-N |
Inchi ID | InChI=1S/C35H32N4O3S2/c40-34(30-6-3-18-36-22-30)23-37-19-17-25-8-13-31(14-9-25)39-44(41,42)33-15-11-28(12-16-33)35-38-32(24-43-35)21-26-7-10-27-4-1-2-5-29(27)20-26/h1-16,18,20,22,24,34,37,39-40H,17,19,21,23H2/t34-/m0/s1 |
PubChem CID | 11556330 |
ChEMBL | CHEMBL418308 |
IUPHAR | N/A |
BindingDB | 50091784 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
2925 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
2924 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
2926 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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