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Name | MLS000882857 |
---|---|
Molecular formula | C24H24Cl2N2O3 |
IUPAC name | (4aS,8R,8aS)-2-[(3,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide |
Molecular weight | 459.367 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | HMS2225B21 NCGC00186839-01 KUC102391N SMR000525473 CHEMBL1868703 |
Inchi Key | ADQHDXXMGWFJCL-PERKRYKHSA-N |
Inchi ID | InChI=1S/C24H24Cl2N2O3/c1-31-18-8-6-17(7-9-18)27-23(29)19-4-2-3-16-11-12-28(24(30)22(16)19)14-15-5-10-20(25)21(26)13-15/h2-3,5-10,13,16,19,22H,4,11-12,14H2,1H3,(H,27,29)/t16-,19-,22+/m1/s1 |
PubChem CID | 24747488 |
ChEMBL | CHEMBL1868703 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
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2969 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
463234 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218