Phenanthridine
AlkaPlorer ID: AK008006
Synonym: None
IUPAC Name: phenanthridine
Structure
SMILES: C1=CC=C2C(=C1)C=NC3=CC=CC=C23
InChI: InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChIKey: RDOWQLZANAYVLL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 179.22199999999998
TPSA？: 12.89
MolLogP？: 3.388000000000001
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -6.38 | % | 10.6019/CHEMBL4296182 |
| Candida albicans | Candida albicans | Inhibition | 4.34 | % | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -7.16 | % | 10.6019/CHEMBL4296182 |
| Escherichia coli | Escherichia coli | Inhibition | 4.54 | % | 10.6019/CHEMBL4296182 |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 100000.0 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 12990.0 | nM | None |
| Homo sapiens | Beta-glucocerebrosidase | Potency | 22387.2 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 12589.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |
| Homo sapiens | HepG2 | Potency | 19952.6 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 32642.7 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 31622.8 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 5011.9 | nM | None |
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | EC50 | nan | None | 10.1021/jm100477n |
| Influenza A virus | Nonstructural protein 1 | Potency | 7079.5 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 11.56 | % | 10.6019/CHEMBL4296182 |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 21331.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | -3.52 | % | 10.6019/CHEMBL4296182 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 100000.0 | nM | None |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 1.61 | % | 10.6019/CHEMBL4296182 |
| None | ADMET | log Ks | 2.57 | None | 10.1016/j.bmc.2008.11.040 |
| None | Unchecked | Potency | 18356.4 | nM | None |