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name Structure Reference Source Properties Activities Metabolism

2,3,4,9-Tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid; (1R,3R)-form, Me ester 

AlkaPlorer ID: AK315412

Synonym: None

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

Structure

SMILES: COC(=O)C1CC2=C(NC3=CC=CC=C23)C(C)N1

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InChI: InChI=1S/C14H16N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-6,8,12,15-16H,7H2,1-2H3

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InChIKey: WZHYQHKXXRMALW-UHFFFAOYSA-N

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Reference

PubChem CID: 593930

NPASS: NPC469896

COCONUT: CNP0403082.4

Source

Species Genus Family Order Class Phylum Kingdom Domain
Cribricellina cribraria Cribricellina Catenicellidae Cheilostomatida Gymnolaemata Bryozoa Metazoa Eukaryota

Properties Information

Molecule Weight: 244.29400000000004

TPSA？: 54.120000000000005

MolLogP？: 1.9162

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Amorphotheca resinae Amorphotheca resinae MIC 60.0 ug 10.1021/np50076a023
Bacillus subtilis Bacillus subtilis MIC 60.0 ug 10.1021/np50076a023
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 35481.3 nM None
Candida albicans Candida albicans MIC 7.5 ug 10.1021/np50076a023
Culex quinquefasciatus Culex quinquefasciatus Activity nan None 10.3390/molecules15117775
Culex quinquefasciatus Culex quinquefasciatus mortality 34.85 % 10.3390/molecules15117775
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.bmc.2018.06.018
Equus caballus Cholinesterase IC50 nan None 10.1016/j.bmc.2018.06.018
Escherichia coli Escherichia coli MIC 60.0 ug 10.1021/np50076a023
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1016/j.bmc.2018.06.018
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 6513.1 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 12589.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 19952.6 nM None
Homo sapiens Huntingtin Potency 1258.9 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 63095.7 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 56234.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 19952.6 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 67455.5 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 3981.1 nM None
Human alphaherpesvirus 1 Human alphaherpesvirus 1 IZ nan None 10.1021/np50076a023
Lipaphis erysimi Lipaphis erysimi Activity nan None 10.3390/molecules15117775
Mus musculus P388 IC50 120.0 ug.mL-1 10.1021/np50076a023
Plasmodium falciparum Plasmodium falciparum Potency 11689.1 nM None
Poliovirus 1 Poliovirus 1 IZ nan None 10.1021/np50076a023
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 60.0 ug 10.1021/np50076a023
Rattus norvegicus GABA-A receptor; anion channel Ki 50000.0 nM 10.1021/jm00351a015
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 60.0 ug 10.1021/np50076a023
None ADMET IZ nan None 10.1021/np50076a023
None Unchecked Potency 20596.2 nM None
None Unchecked Ratio IC50 nan None 10.1016/j.bmc.2018.06.018

Metabolism Information