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name Structure Reference Source Properties Activities Metabolism

Harmol

AlkaPlorer ID: AK019106

Synonym: None

IUPAC Name: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

Structure

SMILES: CC1=C2NC3=CC(=O)C=CC3=C2C=CN1

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InChI: InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3

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InChIKey: LBBJNGFCXDOYMQ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Gentiana lutea Gentiana Gentianaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 198.225

TPSA？: 48.65

MolLogP？: 2.31782

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 12589.3 nM None
Brugia malayi Endochitinase Inhibition nan % 10.1021/ml500516r
Equus caballus Ferritin light chain Potency 28183.8 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 35481.3 nM None
Homo sapiens 1A9 ED50 3.8 ug ml-1 10.1016/s0960-894x(99)00598-3
Homo sapiens A549 ED50 6.5 ug ml-1 10.1016/s0960-894x(99)00598-3
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 31622.8 nM None
Homo sapiens Alpha-galactosidase A Potency 39810.7 nM None
Homo sapiens Alpha-galactosidase A Potency 44668.4 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 5802.4 nM None
Homo sapiens Beta-glucocerebrosidase Potency 19952.6 nM None
Homo sapiens CAKI-1 ED50 9.2 ug ml-1 10.1016/s0960-894x(99)00598-3
Homo sapiens Cellular tumor antigen p53 Potency 25118.9 nM None
Homo sapiens Cyclin-dependent kinase 2 Inhibition 69.0 % 10.1016/s0960-894x(02)00094-x
Homo sapiens Cyclin-dependent kinase 5 Inhibition 72.0 % 10.1016/s0960-894x(02)00094-x
Homo sapiens Cytochrome P450 2C19 Potency 25118.9 nM None
Homo sapiens Cytochrome P450 2C9 Potency 15848.9 nM None
Homo sapiens Cytochrome P450 2D6 Ki 65000.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Potency 15848.9 nM None
Homo sapiens Cytochrome P450 3A4 Potency 39810.7 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 28183.8 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 35481.3 nM None
Homo sapiens DNA polymerase beta Potency 28183.8 nM None
Homo sapiens DNA repair and recombination protein RAD54-like AC50 23890.0 nM None
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 1500.0 nM 10.1016/j.bmcl.2012.01.028
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Geminin Potency 29092.9 nM None
Homo sapiens Glycoprotein hormones alpha chain Potency 1584.9 nM None
Homo sapiens H9 IC50 108100.0 nM 10.1021/np0101189
Homo sapiens HEK-293T Activity nan None 10.1021/ml500516r
Homo sapiens HepG2 Potency 17782.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 50118.7 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 8912.5 nM None
Homo sapiens Indoleamine 2,3-dioxygenase IC50 2000000.0 nM 10.1016/j.bmc.2011.10.068
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 8199.5 nM None
Homo sapiens KB ED50 4.4 ug ml-1 10.1016/s0960-894x(99)00598-3
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 35481.3 nM None
Homo sapiens MCF7 ED50 9.2 ug ml-1 10.1016/s0960-894x(99)00598-3
Homo sapiens microRNA 21 Potency 13091.8 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 8199.5 nM None
Homo sapiens Prelamin-A/C Potency 7.9 nM None
Homo sapiens Rac GTPase-activating protein 1 IC50 44910.0 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 5623.4 nM None
Homo sapiens Serine/threonine-protein kinase haspin IC50 770.0 nM 10.1016/j.bmcl.2012.01.028
Homo sapiens Sphingomyelin phosphodiesterase Potency 25118.9 nM None
Homo sapiens Transcriptional regulator ERG Potency 44668.4 nM None
Homo sapiens Transcriptional regulator ERG Potency 112201.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 13335.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 14581.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23715.0 nM None
Homo sapiens U-87 MG ED50 4.2 ug ml-1 10.1016/s0960-894x(99)00598-3
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 11100.0 nM 10.1021/np0101189
Onchocerca volvulus Chitinase IC50 7080.0 nM 10.1021/ml500516r
Onchocerca volvulus Onchocerca volvulus Inhibition 61.0 % 10.1021/ml500516r
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM None
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A AC50 298.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 25118.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 39810.7 nM None
Trypanosoma cruzi Cruzipain Potency 39810.7 nM None
None ADMET Ratio IC50/EC50 9.7 uM 10.1021/np0101189
None Unchecked AC50 22110.0 nM None
None Unchecked IC50 61920.0 nM None
None Unchecked Inhibition nan % 10.1021/ml500516r
None Unchecked Potency 794.3 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 16360.1 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information