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Name | MLS000571301 |
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Molecular formula | C22H23N3O4S2 |
IUPAC name | ethyl 2-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular weight | 457.563 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | ethyl 2-{3-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate STK190165 BDBM39792 MCULE-8144864207 2-[3-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester [ Show all ] |
Inchi Key | CIDRMTABINCFNT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23N3O4S2/c1-4-29-21(28)17-14-7-5-6-8-16(14)31-20(17)25-11(2)9-13(12(25)3)10-15-18(26)23-22(30)24-19(15)27/h9-10H,4-8H2,1-3H3,(H2,23,24,26,27,30) |
PubChem CID | 1494229 |
ChEMBL | CHEMBL1533351 |
IUPHAR | N/A |
BindingDB | 39792 |
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 |
---|---|---|---|---|---|
42590 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
42591 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
42589 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
468148 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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