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name Structure Reference Source Properties Activities Metabolism

1,2,3,4-Tetrahydro-1-methyl-β-carboline; (R)-form, 7-Methoxy 

AlkaPlorer ID: AK315405

Synonym: 1,2,3,4-Tetrahydro-7-methoxy-1-methyl-β-carboline, Tetrahydroharmine, Leptaflorine

IUPAC Name: 7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Structure

SMILES: COC1=CC=C2C3=C(NC2=C1)C(C)NCC3

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InChI: InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3

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InChIKey: ZXLDQJLIBNPEFJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Peganum harmala Peganum Nitrariaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 216.284

TPSA？: 37.05

MolLogP？: 2.3832000000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Thrombin IC50 13700.0 nM None
Homo sapiens 26S proteasome non-ATPase regulatory subunit 14 IC50 17900.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 50118.7 nM None
Homo sapiens DNA polymerase beta Potency 28183.8 nM None
Homo sapiens DNA polymerase eta Potency 79432.8 nM None
Homo sapiens DNA polymerase iota Potency 100000.0 nM None
Homo sapiens Flap endonuclease 1 Potency 39810.7 nM None
Homo sapiens GABA-A receptor; anion channel IC50 100000.0 nM 10.1021/acs.jmedchem.0c01887
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 7943.3 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 56234.1 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 50118.7 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 25118.9 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 39810.7 nM None
Homo sapiens Matrix metalloproteinase-2 IC50 100000.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 1122.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 31622.8 nM None
Homo sapiens Rap guanine nucleotide exchange factor 4 Potency 39810.7 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 28183.8 nM None
Homo sapiens Serotonin 5a (5-HT5a) receptor Ki 10000.0 nM 10.1021/jm030080s
Homo sapiens Sphingomyelin phosphodiesterase Potency 39810.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2592.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 10322.5 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 8912.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 5221.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 11689.1 nM None
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A AC50 2987.0 nM None
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 10000.0 nM 10.1021/acs.jmedchem.0c01887
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 44668.4 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 63095.7 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 11220.2 nM None
None Unchecked Potency 32642.7 nM None

Metabolism Information