Marinoquinoline F
AlkaPlorer ID: AK035267
Synonym: None
IUPAC Name: 1H-indol-3-yl(3H-pyrrolo[2,3-c]quinolin-4-yl)methanone
Structure
SMILES: O=C(C1=CNC2=CC=CC=C12)C1=NC2=CC=CC=C2C2=C1NC=C2
InChI: InChI=1S/C20H13N3O/c24-20(15-11-22-16-7-3-1-6-13(15)16)19-18-14(9-10-21-18)12-5-2-4-8-17(12)23-19/h1-11,21-22H
InChIKey: LLIFNBFVMVAQMZ-UHFFFAOYSA-N
Reference
Marinoquinolines A−F, Pyrroloquinolines from <i>Ohtaekwangia kribbensis</i> (Bacteroidetes)
PubChem CID: 52952102
LOTUS: LTS0113913
COCONUT: CNP0353221
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ohtaekwangia kribbensis | Ohtaekwangia | Fulvivirgaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 311.344
TPSA？: 61.54
MolLogP？: 4.428400000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 3600.0 | nM | 10.1016/j.ejmech.2022.114206 |
| Homo sapiens | HUVEC | IC50 | 2.8 | ug.mL-1 | 10.1021/np100625a |
| Homo sapiens | MCF7 | IC50 | 1.6 | ug.mL-1 | 10.1021/np100625a |
| Leishmania donovani | Leishmania donovani | IC50 | 16100.0 | nM | 10.1021/np100625a |
| Mus musculus | L929 | IC50 | 4.1 | ug.mL-1 | 10.1021/np100625a |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1700.0 | nM | 10.1021/np100625a |
| Rattus norvegicus | L6 | IC50 | 12500.0 | nM | 10.1021/np100625a |
| Schizosaccharomyces pombe | Schizosaccharomyces pombe | Activity | nan | None | 10.1021/np100625a |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 39000.0 | nM | 10.1021/np100625a |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 21800.0 | nM | 10.1021/np100625a |
| None | NON-PROTEIN TARGET | IC50 | 0.3 | ug.mL-1 | 10.1021/np100625a |