2,5-bis(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
AlkaPlorer ID: AK280297
Synonym: None
IUPAC Name: 2,5-dithiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Structure
SMILES: FC(F)(F)C1=CC(C2=CC=CS2)=NC2=CC(C3=CC=CS3)=NN12
InChI: InChI=1S/C15H8F3N3S2/c16-15(17,18)13-7-9(11-3-1-5-22-11)19-14-8-10(20-21(13)14)12-4-2-6-23-12/h1-8H
InChIKey: PQOJHAATGCYINC-UHFFFAOYSA-N
Reference
Chemical Constituents from the Mangrove Plant, <i>Aegiceras </i><i>c</i><i>orniculatum</i>
PubChem CID: 2818919
SuperNatural Ⅲ: SN0292546
COCONUT: CNP0110467
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 351.37800000000004
TPSA？: 30.19
MolLogP？: 5.2051000000000025
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 17782.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 56234.1 | nM | None |
| Homo sapiens | Far upstream element-binding protein 1 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2016.09.015 |
| Homo sapiens | Geminin | Potency | 580.5 | nM | None |
| Homo sapiens | Geminin | Potency | 2592.9 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 10000.0 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 | Potency | 3981.1 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 11220.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2238.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2909.3 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 37933.0 | nM | None |
| Homo sapiens | Relaxin receptor 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | Unchecked | Potency | 1636.0 | nM | None |
| None | Unchecked | Potency | 2238.7 | nM | None |