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2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one 

AlkaPlorer ID: AK020738

Synonym: 1,2,3,4-Tetrahydro-1-oxo-β-carboline, Tetrahydronorharman-1-one

IUPAC Name: 2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Structure

SMILES: O=C1NCCC2=C1NC1=CC=CC=C21

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InChI: InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)

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InChIKey: FZHZQHNKCPJTNQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trigonostemon lii Trigonostemon Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 186.21400000000003

TPSA？: 44.89

MolLogP？: 1.4537999999999998

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -2.97 % 10.6019/CHEMBL4296182
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 25118.9 nM None
Candida albicans Candida albicans Inhibition 2.99 % 10.6019/CHEMBL4296182
Chlorocebus sabaeus Vero Activity nan None 10.1021/np020592u
Cryptococcus neoformans Cryptococcus neoformans Inhibition -7.2 % 10.6019/CHEMBL4296182
Escherichia coli Escherichia coli Inhibition -11.15 % 10.6019/CHEMBL4296182
Escherichia coli K-12 Beta-lactamase AmpC Potency 7079.5 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 28183.8 nM None
Homo sapiens A549 IC50 10.11 ug.mL-1 10.1016/j.ejmech.2021.113688
Homo sapiens A549 IC50 40000.0 nM 10.1016/j.bmcl.2012.01.106
Homo sapiens Cytochrome P450 1A2 AC50 2818.38 nM None
Homo sapiens Cytochrome P450 2C19 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA polymerase eta Potency 39810.7 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 25118.9 nM None
Homo sapiens HCT-116 IC50 7.45 ug.mL-1 10.1016/j.ejmech.2021.113688
Homo sapiens HL-60 IC50 40000.0 nM 10.1016/j.bmcl.2012.01.106
Homo sapiens Huntingtin Potency 5011.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 31622.8 nM None
Homo sapiens MCF7 IC50 8.27 ug.mL-1 10.1016/j.ejmech.2021.113688
Homo sapiens MCF7 IC50 40000.0 nM 10.1016/j.bmcl.2012.01.106
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 3548.1 nM None
Homo sapiens Muscleblind-like protein 1 Potency 7079.5 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 95283.4 nM None
Homo sapiens SMMC-7721 IC50 40000.0 nM 10.1016/j.bmcl.2012.01.106
Homo sapiens SW480 IC50 40000.0 nM 10.1016/j.bmcl.2012.01.106
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 6.5 % 10.6019/CHEMBL4296182
Leishmania donovani Leishmania donovani Activity nan None 10.1021/np020592u
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC nan None 10.1021/np020592u
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1021/np020592u
Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM None
Plasmodium falciparum Plasmodium falciparum Potency 16511.3 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition -19.46 % 10.6019/CHEMBL4296182
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 14125.4 nM None
Staphylococcus aureus Staphylococcus aureus Inhibition -13.58 % 10.6019/CHEMBL4296182
None No relevant target Solubility 1258900.0 nM 10.6019/CHEMBL3301361

Metabolism Information