[3-(8-amino-3-imino-6-phenyl-3,5-dihydrophenanthridin-5-yl)propyl]diethylmethylazanium
AlkaPlorer ID: AK322866
Synonym: None
IUPAC Name: 3-(8-amino-3-imino-6-phenylphenanthridin-5-yl)propyl-diethyl-methylazanium
Structure
SMILES: CC[N+](C)(CC)CCCN1C2=CC(=N)C=CC2=C2C=CC(N)=CC2=C1C1=CC=CC=C1
InChI: InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1
InChIKey: ZDWVWKDAWBGPDN-UHFFFAOYSA-N
Reference
PubChem CID: 11973120
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cortinarius infractus | Cortinarius | Cortinariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 413.58900000000017
TPSA？: 54.8
MolLogP？: 5.351270000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 28183.8 | nM | None |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 50118.7 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 15848.9 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 11220.2 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 11220.2 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Bloom syndrome protein | Potency | 5011.9 | nM | None |
| Homo sapiens | Butyrylcholinesterase | Ki | 430.0 | nM | 10.1021/acs.jmedchem.2c00944 |
| Homo sapiens | Caspase-1 | Potency | 2511.9 | nM | None |
| Homo sapiens | Caspase-7 | Potency | 2511.9 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | 1584.89 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 1584.9 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 6309.57 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 6309.6 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 15848.93 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 15848.9 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 11220.2 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 25118.9 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 4228.4 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 6309.6 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 11220.2 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -2.28 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 60.22 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 5011.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 2511.9 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 2818.4 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 12589.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 1258.9 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 6309.6 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 887.7 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 1117.5 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 17782.8 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 25118.9 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 50118.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 2580.7 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 7943.3 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 8912.5 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 2511.9 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 3162.3 | nM | None |
| Rattus norvegicus | Inositol monophosphatase 1 | Potency | 28183.8 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | Unchecked | Potency | 2818.4 | nM | None |
| None | Unchecked | Potency | 3162.3 | nM | None |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 7943.3 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |