You can:
Name | CHEMBL57889 |
---|---|
Molecular formula | C32H32ClNO7S2 |
IUPAC name | bis(2-thiophen-2-ylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate |
Molecular weight | 642.178 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 6.7 |
Synonyms | 5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis[2-(2-thienyl)ethyl] ester |
Inchi Key | KSZWYINMRMPIJQ-ZBLYBZFDSA-N |
Inchi ID | InChI=1S/C32H32ClNO7S2/c1-21(34-20-27(35)23-5-2-6-24(33)19-23)17-22-9-10-28-29(18-22)41-32(40-28,30(36)38-13-11-25-7-3-15-42-25)31(37)39-14-12-26-8-4-16-43-26/h2-10,15-16,18-19,21,27,34-35H,11-14,17,20H2,1H3/t21-,27+/m1/s1 |
PubChem CID | 44300533 |
ChEMBL | CHEMBL57889 |
IUPHAR | N/A |
BindingDB | N/A |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
177528 | Beta-3 adrenergic receptor | P26255 | Adrb3 | Rattus norvegicus (Rat) | 400 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218