6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
AlkaPlorer ID: AK274321
Synonym: None
IUPAC Name: 6-phenyl-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Structure
SMILES: COC1=CC(C2=NN=C3SCC(C4=CC=CC=C4)=NN32)=CC(OC)=C1OC
InChI: InChI=1S/C19H18N4O3S/c1-24-15-9-13(10-16(25-2)17(15)26-3)18-20-21-19-23(18)22-14(11-27-19)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey: SVXFWFLYWFSIIF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 382.44500000000016
TPSA？: 70.76
MolLogP？: 3.329000000000001
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 12559.4 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 9200.0 | nM | None |
| Homo sapiens | Breast cancer type 1 susceptibility protein | Potency | 1122.0 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 50118.7 | nM | None |
| Homo sapiens | Geminin | Potency | 326.4 | nM | None |
| Homo sapiens | Geminin | Potency | 2310.9 | nM | None |
| Homo sapiens | Glucose-6-phosphate 1-dehydrogenase | IC50 | 80000.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 2310.0 | nM | None |
| Homo sapiens | HT-29 | IC50 | 5650.0 | nM | 10.1016/j.ejmech.2020.112847 |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 2059.6 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 20596.2 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 3548.1 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 398.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1458.1 | nM | None |
| Plasmodium berghei | Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | 3880.0 | nM | None |
| Plasmodium berghei | Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | 80000.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| None | Unchecked | Potency | 205.9 | nM | None |
| None | Unchecked | Potency | 316.2 | nM | None |
| None | Unchecked | Potency | 891.3 | nM | None |
| None | Unchecked | Potency | 1158.2 | nM | None |
| None | Unchecked | Potency | 7943.3 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |
| None | Unchecked | Potency | 28183.8 | nM | None |