1-[5-(3,4-dichlorophenyl)furan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline
AlkaPlorer ID: AK097246
Synonym: None
IUPAC Name: 1-[5-(3,4-dichlorophenyl)furan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C(C1=CC=C(C3=CC=C(Cl)C(Cl)=C3)O1)=NCC2
InChI: InChI=1S/C21H17Cl2NO3/c1-25-19-10-12-7-8-24-21(14(12)11-20(19)26-2)18-6-5-17(27-18)13-3-4-15(22)16(23)9-13/h3-6,9-11H,7-8H2,1-2H3
InChIKey: MRWNESHUWGQEMM-UHFFFAOYSA-N
Reference
Stevastelins, novel immunosuppressants produced by Penicillium.
PubChem CID: 1527239
SuperNatural Ⅲ: SN0138399
COCONUT: CNP0284263
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 402.2770000000001
TPSA？: 43.96
MolLogP？: 5.664100000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 19952.6 | nM | None |
| Caenorhabditis elegans | Cytoplasmic zinc-finger protein | EC50 | 300000.0 | nM | None |
| Caenorhabditis elegans | Zinc finger protein mex-5 | EC50 | 300000.0 | nM | None |
| Equus caballus | Ferritin light chain | Potency | 31622.8 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 14581.0 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 70794.6 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 15848.9 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 2310.9 | nM | None |
| Homo sapiens | Geminin | Potency | 18356.4 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 891.3 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 11220.2 | nM | None |
| Homo sapiens | G-protein coupled receptor 55 | EC50 | 32000.0 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 50118.7 | nM | None |
| Homo sapiens | HEK293 | Potency | 5802.4 | nM | None |
| Homo sapiens | HepG2 | Potency | 11220.2 | nM | None |
| Homo sapiens | HepG2 | Potency | 35481.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 14125.4 | nM | None |
| Homo sapiens | Huntingtin | Potency | 8912.5 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 20596.2 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 36897.7 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 17782.8 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 13091.8 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 11220.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 11220.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 25118.9 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 28183.8 | nM | None |
| Homo sapiens | Neuropeptide S receptor | Potency | 10000.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 9200.0 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 75686.3 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 4 | Potency | 31622.8 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 794.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1258.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1835.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 4109.5 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 31622.8 | nM | None |
| Influenza A virus | Nonstructural protein 1 | Potency | 11220.2 | nM | None |
| Leishmania mexicana | Pyruvate kinase | Potency | 12589.3 | nM | None |
| Mus musculus | Heat shock factor protein 1 | AC50 | 18796.0 | nM | None |
| Mus musculus | Heat shock factor protein 1 | EC50 | 195000.0 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 11220.2 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 12589.3 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 15101.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Rattus norvegicus | Inositol monophosphatase 1 | Potency | 12589.3 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 79432.8 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 100000.0 | nM | None |
| Trypanosoma brucei brucei | RNA-editing ligase 1, mitochondrial | IC50 | 35840.0 | nM | None |
| Trypanosoma cruzi | Cruzipain | Potency | 28183.8 | nM | None |
| None | NON-PROTEIN TARGET | AC50 | 8910.0 | nM | None |
| None | NON-PROTEIN TARGET | AC50 | 9820.0 | nM | None |
| None | Unchecked | AC50 | 3989.0 | nM | None |
| None | Unchecked | AC50 | 4339.0 | nM | None |
| None | Unchecked | AC50 | 25690.0 | nM | None |
| None | Unchecked | EC50 | 110000.0 | nM | None |
| None | Unchecked | Potency | 4.6 | nM | None |
| None | Unchecked | Potency | 5802.4 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |
| None | Unchecked | Potency | 17782.8 | nM | None |
| None | Unchecked | Potency | 23109.3 | nM | None |