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Marinoquinoline C

AlkaPlorer ID: AK076532

Synonym: None

IUPAC Name: 4-benzyl-3H-pyrrolo[2,3-c]quinoline

Structure

SMILES: C1=CC=C(CC2=NC3=CC=CC=C3C3=C2NC=C3)C=C1

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InChI: InChI=1S/C18H14N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,19H,12H2

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InChIKey: PWTJJPSHOLKBPE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ohtaekwangia kribbensis Ohtaekwangia Fulvivirgaceae Cytophagales Cytophagia Bacteroidota None Bacteria

Properties Information

Molecule Weight: 258.324

TPSA？: 28.68

MolLogP？: 4.306900000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 4

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 nan None 10.1021/acs.jmedchem.8b00143
Homo sapiens HUVEC IC50 0.55 ug.mL-1 10.1021/np100625a
Homo sapiens MCF7 IC50 2.6 ug.mL-1 10.1021/np100625a
Leishmania donovani Leishmania donovani IC50 58800.0 nM 10.1021/np100625a
Mus musculus L929 IC50 5.4 ug.mL-1 10.1021/np100625a
Plasmodium falciparum Plasmodium falciparum IC50 5500.0 nM 10.1021/np100625a
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1021/acs.jmedchem.8b00143
Rattus norvegicus L6 IC50 39100.0 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 42200.0 nM 10.1021/np100625a
Trypanosoma cruzi Trypanosoma cruzi IC50 28300.0 nM 10.1021/np100625a
None ADMET TI nan None 10.1021/acs.jmedchem.8b00143
None NON-PROTEIN TARGET IC50 2.0 ug.mL-1 10.1021/np100625a

Metabolism Information