Marinoquinoline E
AlkaPlorer ID: AK076508
Synonym: None
IUPAC Name: 4-(1H-indol-3-yl)-3H-pyrrolo[2,3-c]quinoline
Structure
SMILES: C1=CC=C2C(=C1)N=C(C1=CNC3=CC=CC=C13)C1=C2C=CN1
InChI: InChI=1S/C19H13N3/c1-3-7-16-13(6-1)15(11-21-16)19-18-14(9-10-20-18)12-5-2-4-8-17(12)22-19/h1-11,20-21H
InChIKey: UQYYXZNJDIWWEW-UHFFFAOYSA-N
Reference
Marinoquinolines A−F, Pyrroloquinolines from <i>Ohtaekwangia kribbensis</i> (Bacteroidetes)
PubChem CID: 52952101
LOTUS: LTS0151354
COCONUT: CNP0285756
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ohtaekwangia kribbensis | Ohtaekwangia | Fulvivirgaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 283.33399999999995
TPSA？: 44.47
MolLogP？: 4.8644000000000025
Number of H-Donors: 2
Number of H-Acceptors: 1
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 | HepG2 | EC50 | 750000.0 | nM | 10.1021/acs.jmedchem.8b00143 |
| Homo sapiens | HUVEC | IC50 | 5.8 | ug.mL-1 | 10.1021/np100625a |
| Homo sapiens | MCF7 | IC50 | 1.9 | ug.mL-1 | 10.1021/np100625a |
| Leishmania donovani | Leishmania donovani | IC50 | 63900.0 | nM | 10.1021/np100625a |
| Micrococcus luteus | Micrococcus luteus | MIC | 33.5 | ug.mL-1 | 10.1021/np100625a |
| Mucor hiemalis | Mucor hiemalis | MIC | 33.5 | ug.mL-1 | 10.1021/np100625a |
| Mus musculus | L929 | IC50 | 5.5 | ug.mL-1 | 10.1021/np100625a |
| Nocardia sp. | Nocardia sp. | MIC | 33.5 | ug.mL-1 | 10.1021/np100625a |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7600.0 | nM | 10.1021/np100625a |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 10400.0 | nM | 10.1021/acs.jmedchem.8b00143 |
| Rattus norvegicus | L6 | IC50 | 35600.0 | nM | 10.1021/np100625a |
| Rhodotorula glutinis | Rhodotorula glutinis | MIC | 33.5 | ug.mL-1 | 10.1021/np100625a |
| Schizosaccharomyces pombe | Schizosaccharomyces pombe | MIC | 33.5 | ug.mL-1 | 10.1021/np100625a |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 51500.0 | nM | 10.1021/np100625a |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 23600.0 | nM | 10.1021/np100625a |
| None | ADMET | TI | 72.0 | None | 10.1021/acs.jmedchem.8b00143 |
| None | NON-PROTEIN TARGET | IC50 | 4.5 | ug.mL-1 | 10.1021/np100625a |