5-ethyl-3-imino-6-phenyl-3,5-dihydrophenanthridin-8-amine
AlkaPlorer ID: AK069690
Synonym: None
IUPAC Name: 5-ethyl-3-imino-6-phenylphenanthridin-8-amine
Structure
SMILES: CCN1C2=CC(=N)C=CC2=C2C=CC(N)=CC2=C1C1=CC=CC=C1
InChI: InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3
InChIKey: QTANTQQOYSUMLC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eucalyptus globulus | Eucalyptus | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.404
TPSA？: 54.8
MolLogP？: 4.494670000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero C1008 | CC50 | 2040.0 | nM | 10.6019/CHEMBL4495565 |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 561.0 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 3548.1 | nM | None |
| Homo sapiens | ATP-dependent DNA helicase Q1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Bloom syndrome protein | Potency | 39810.7 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 31622.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 10000.0 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 35481.3 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 2.78 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 5.71 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 12589.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 3981.1 | 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 | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 14125.4 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 158.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 281.8 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 6309.6 | nM | None |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 1800.0 | nM | 10.1016/j.bmcl.2012.05.041 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 2100.0 | nM | 10.1016/j.bmcl.2012.05.041 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 reverse transcriptase | IC50 | 2200.0 | nM | 10.1016/j.bmcl.2012.05.041 |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 10000.0 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 35481.3 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 8.03 | % | 10.6019/CHEMBL4495564 |
| 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 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 33000.0 | nM | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 7.15 | % | 10.6019/CHEMBL4495565 |
| None | ADMET | Selectivity index | 0.06 | None | 10.6019/CHEMBL4495565 |
| None | Unchecked | IC50 | 3300.0 | nM | 10.1016/j.bmcl.2012.05.041 |
| None | Unchecked | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 8912.5 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 19952.6 | nM | None |