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Deoxyvasicinone

AlkaPlorer ID: AK015520

Synonym: None

IUPAC Name: 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Structure

SMILES: O=C1C2=CC=CC=C2N=C2CCCN21

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

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InChIKey: VARHXCYGZKSOOO-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: 186.214

TPSA？: 34.89

MolLogP？: 1.3426999999999998

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Cavia porcellus Tissue Activity 20.0 % 10.1007/s00044-006-0141-7
Electrophorus electricus Acetylcholinesterase IC50 24000.0 nM 10.1016/j.bmc.2021.116311
Electrophorus electricus Acetylcholinesterase IC50 24000.0 nM 10.1016/j.bmcl.2021.128212
Equus caballus Cholinesterase IC50 25000.0 nM 10.1016/j.bmc.2021.116311
Equus caballus Cholinesterase IC50 25000.0 nM 10.1016/j.bmcl.2021.128212
Homo sapiens Acetylcholinesterase IC50 35160.0 nM 10.1016/j.ejmech.2021.113949
Homo sapiens Acetylcholinesterase IC50 62500.0 nM 10.1016/j.ejmech.2017.09.008
Homo sapiens Acetylcholinesterase IC50 82500.0 nM 10.1016/j.bmcl.2008.05.039
Homo sapiens Acetylcholinesterase Inhibition 3.83 % 10.1016/j.bmc.2021.116311
Homo sapiens Acetylcholinesterase Inhibition 29.7 % 10.1016/j.bmcl.2020.127659
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Amyloid-beta A4 protein IC50 nan None 10.1016/j.bmc.2021.116311
Homo sapiens Amyloid-beta A4 protein IC50 nan None 10.1016/j.bmcl.2021.128212
Homo sapiens Amyloid-beta A4 protein Inhibition 2.53 % 10.1016/j.ejmech.2017.09.008
Homo sapiens Amyloid-beta A4 protein Inhibition 20.7 % 10.1016/j.bmcl.2020.127659
Homo sapiens Arachidonate 15-lipoxygenase Potency 3162.3 nM None
Homo sapiens Ataxin-2 Potency 89.1 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 14125.4 nM None
Homo sapiens Butyrylcholinesterase IC50 17820.0 nM 10.1016/j.ejmech.2021.113949
Homo sapiens Butyrylcholinesterase IC50 25100.0 nM 10.1016/j.bmcl.2008.05.039
Homo sapiens Butyrylcholinesterase IC50 45100.0 nM 10.1016/j.ejmech.2017.09.008
Homo sapiens Butyrylcholinesterase Inhibition 40.5 % 10.1016/j.bmcl.2020.127659
Homo sapiens Cholinesterases; ACHE & BCHE Ratio IC50 1.39 None 10.1016/j.ejmech.2017.09.008
Homo sapiens Cystic fibrosis transmembrane conductance regulator/Golgi-associated PDZ and coiled-coil motif-containing protein AC50 21308.0 nM None
Homo sapiens Cytochrome P450 1A2 AC50 6309.57 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None 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 63095.7 nM None
Homo sapiens DNA polymerase iota Potency 50118.7 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Flap endonuclease 1 Potency 79432.8 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 35481.3 nM None
Homo sapiens HL-60 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 16481.6 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 70794.6 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 23778.1 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 28183.8 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 14125.4 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 8912.5 nM None
Homo sapiens Muscleblind-like protein 1 Potency 39810.7 nM None
Homo sapiens PC-3 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens Putative hexokinase HKDC1 IC50 4320.0 nM None
Homo sapiens Putative hexokinase HKDC1 IC50 80000.0 nM None
Homo sapiens Rap guanine nucleotide exchange factor 3 Potency 25118.9 nM None
Homo sapiens SGC-7901 IC50 nan None 10.1016/j.bmcl.2017.12.003
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 31622.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 3981.1 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 22387.2 nM None
Influenza A virus Nonstructural protein 1 Potency 7943.3 nM None
Mus musculus Eukaryotic translation initiation factor 4E IC50 6200.03 nM None
Mycobacterium tuberculosis Protein RecA EC50 11600.0 nM None
Mycobacterium tuberculosis Replicative DNA helicase AC50 13290.0 nM None
Mycobacterium tuberculosis Replicative DNA helicase AC50 22950.0 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 23934.1 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 16944.1 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 26854.5 nM None
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 39810.7 nM None
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Putative uncharacterized protein Potency 50118.7 nM None
Trypanosoma cruzi Cruzipain Potency 12589.3 nM None
Trypanosoma cruzi Cruzipain Potency 17782.8 nM None
None Unchecked AC50 60360.0 nM None
None Unchecked Potency 37685.8 nM None
None Unchecked Ratio IC50 1.04 None 10.1016/j.bmc.2021.116311

Metabolism Information