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Name | SMR000201450 |
---|---|
Molecular formula | C23H23N3O3S2 |
IUPAC name | ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate |
Molecular weight | 453.575 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | MCULE-3762807269 ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate MolPort-002-295-967 AKOS001735939 ethyl 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ Show all ] |
Inchi Key | ADZIFSDZYDYNQJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H23N3O3S2/c1-4-29-21(27)19-17(12-30-23-25-16-7-5-6-8-18(16)31-23)24-22(28)26-20(19)15-11-13(2)9-10-14(15)3/h5-11,20H,4,12H2,1-3H3,(H2,24,26,28) |
PubChem CID | 2979065 |
ChEMBL | CHEMBL1430749 |
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 |
---|---|---|---|---|---|
3255 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
3256 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
463274 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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