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Name | SCHEMBL539819 |
---|---|
Molecular formula | C50H47Cl2N3O7 |
IUPAC name | (2S)-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-[(1S)-1-phenylpropyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethylpyridin-4-yl)oxyphenyl]propanoic acid |
Molecular weight | 872.84 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 8.1 |
Synonyms | US9175003, 189 CHEMBL3896333 BDBM190028 |
Inchi Key | ADSVWDKBZTUAQI-PZEVNQBWSA-N |
Inchi ID | InChI=1S/C50H47Cl2N3O7/c1-4-43(34-8-6-5-7-9-34)55-27-37-26-47-46(60-29-48(62-47)35-13-17-38(18-14-35)59-28-33-12-19-40(51)41(52)22-33)25-36(37)24-44(55)49(56)54-42(50(57)58)23-32-10-15-39(16-11-32)61-45-20-21-53-31(3)30(45)2/h5-22,25-26,42-44,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t42-,43-,44-,48+/m0/s1 |
PubChem CID | 49804716 |
ChEMBL | CHEMBL3896333 |
IUPHAR | N/A |
BindingDB | 190028 |
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 |
---|---|---|---|---|---|
535985 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218