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Name | SMR000142140 |
---|---|
Molecular formula | C20H21N7O3S2 |
IUPAC name | ethyl 2-[5-[[2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate |
Molecular weight | 471.554 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | ethyl [5-({[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate SR-01000504796 AC1O4PLZ MCULE-7292357049 ZINC8670913 [ Show all ] |
Inchi Key | AHKGKJBCLGFGCS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H21N7O3S2/c1-3-9-27-13-8-6-5-7-12(13)17-18(27)22-19(25-24-17)31-11-14(28)21-20-26-23-15(32-20)10-16(29)30-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,26,28) |
PubChem CID | 6410354 |
ChEMBL | CHEMBL1441931 |
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 |
---|---|---|---|---|---|
5646 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
5647 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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