ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
AlkaPlorer ID: AK521195
Synonym: None
IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Structure
SMILES: CCOC(=O)C1=C(C)NC(=O)NC1C1=CC=C2OCOC2=C1
InChI: InChI=1S/C15H16N2O5/c1-3-20-14(18)12-8(2)16-15(19)17-13(12)9-4-5-10-11(6-9)22-7-21-10/h4-6,13H,3,7H2,1-2H3,(H2,16,17,19)
InChIKey: SFJUFKUJXZOETL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 304.3020000000001
TPSA？: 85.89
MolLogP？: 1.6063
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 199526.2 | nM | None |
| Homo sapiens | 786-0 | GI50 | 26.3 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 3548.1 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 631.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 29.9 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Homo sapiens | NCI-H460 | GI50 | 48.9 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Homo sapiens | OVCAR-3 | GI50 | 32.4 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Homo sapiens | PC-3 | GI50 | 83.1 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Homo sapiens | U-251 | GI50 | 34.9 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | 11220.2 | nM | None |
| Sus scrofa | Pancreatic alpha-amylase | Inhibition | 0.0 | % | 10.1016/j.bmcl.2014.04.099 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmc.2012.02.036 |
| None | NON-PROTEIN TARGET | GI50 | 15.5 | ug.mL-1 | 10.1016/j.bmc.2012.02.036 |
| None | Unchecked | Potency | 2909.3 | nM | None |