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Name | CHEMBL1379097 |
---|---|
Molecular formula | C22H20N4O3S2 |
IUPAC name | 2-(3,4-dimethylphenoxy)-N-[5-[(4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide |
Molecular weight | 452.547 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | MolPort-007-878-427 HMS1896G15 2-(3,4-dimethylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]thio}-1,3,4-thiadiazol-2-yl)acetamide NCGC00133856-01 MCULE-4087385612 [ Show all ] |
Inchi Key | AFMYYVBJPHRSBZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20N4O3S2/c1-13-7-8-16(9-14(13)2)29-11-20(28)24-21-25-26-22(31-21)30-12-15-10-19(27)17-5-3-4-6-18(17)23-15/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,25,28) |
PubChem CID | 16030490 |
ChEMBL | CHEMBL1379097 |
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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463413 | 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