Detailed information for compound 179635

Basic information

Technical information
  • TDR Targets ID: 179635
  • Name: 7-[(3-fluorophenyl)methoxy]-3,4-dimethylchrom en-2-one
  • MW: 298.308 | Formula: C18H15FO3
  • H donors: 0 H acceptors: 1 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)COc1ccc2c(c1)oc(=O)c(c2C)C
  • InChi: 1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
  • InChiKey: XGJZBERLEOSMIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(3-fluorophenyl)methoxy]-3,4-dimethyl-chromen-2-one
  • 7-[(3-fluorophenyl)methoxy]-3,4-dimethyl-1-benzopyran-2-one
  • 7-(3-fluorobenzyl)oxy-3,4-dimethyl-coumarin
  • 7-[(3-fluorophenyl)methoxy]-3,4-dimethyl-2-chromenone
  • Oprea1_323015
  • Oprea1_124500
  • ZINC00317623

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase B Starlite/ChEMBL References
Rattus norvegicus Monoamine oxidase B Starlite/ChEMBL References
Rattus norvegicus Monoamine oxidase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 539 aa 22.3 %
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase B   520 aa 479 aa 21.7 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 531 aa 23.2 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 538 aa 21.0 %
Dictyostelium discoideum amine oxidase Monoamine oxidase B   520 aa 489 aa 29.0 %
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase B 520 aa 462 aa 19.7 %
Onchocerca volvulus Mitochondrial fission process protein 1 homolog Monoamine oxidase B   520 aa 469 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.1988 1
Onchocerca volvulus 0.0077 0.039 0.1591
Toxoplasma gondii PAN domain-containing protein 0.0077 0.039 0.0436
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0036 0 0.5
Brugia malayi Trypsin-like protease protein 5 0.0066 0.0281 0.1415
Onchocerca volvulus Huntingtin homolog 0.0067 0.0299 0.111
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Toxoplasma gondii microneme protein MIC17A 0.0077 0.039 0.0436
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Loa Loa (eye worm) serotonin transporter b 0.0067 0.0293 0.1473
Echinococcus granulosus Niemann Pick C1 protein 0.0077 0.0395 0.1197
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Onchocerca volvulus 0.0243 0.1988 1
Echinococcus multilocularis expressed conserved protein 0.0051 0.014 0.0355
Toxoplasma gondii PAN domain-containing protein 0.0767 0.7029 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0076 0.038 1
Echinococcus granulosus neuropeptide receptor 0.0088 0.05 0.1514
Schistosoma mansoni amine oxidase 0.0076 0.038 0.1151
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Schistosoma mansoni microtubule-associated protein tau 0.0379 0.33 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0076 0.038 0.1151
Brugia malayi Animal haem peroxidase family protein 0.0243 0.1988 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0067 0.0293 0.0887
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.1988 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0076 0.038 0.0101
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0066 0.0281 0.0714
Leishmania major UDP-galactopyranose mutase 0.0076 0.038 1
Echinococcus multilocularis microtubule associated protein 2 0.0379 0.33 0.8378
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0076 0.038 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0299 0.1503
Loa Loa (eye worm) hypothetical protein 0.0067 0.0293 0.1473
Loa Loa (eye worm) hypothetical protein 0.0045 0.0088 0.0442
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0066 0.0281 0.0852
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Loa Loa (eye worm) trypsin family protein 0.0066 0.0281 0.1415
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Brugia malayi Animal haem peroxidase family protein 0.0243 0.1988 1
Onchocerca volvulus Huntingtin homolog 0.0067 0.0299 0.111
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Schistosoma mansoni amine oxidase 0.0076 0.038 0.1151
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0066 0.0281 0.1415
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Loa Loa (eye worm) hypothetical protein 0.0067 0.0293 0.1473
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Onchocerca volvulus Peroxidasin homolog 0.0243 0.1988 1
Toxoplasma gondii PAN domain-containing protein 0.0077 0.039 0.0436
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0446 0.3939 1
Echinococcus multilocularis transmembrane protease serine 3 0.0066 0.0281 0.0714
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0076 0.038 0.1151
Plasmodium falciparum protoporphyrinogen oxidase 0.0076 0.038 1
Onchocerca volvulus 0.0077 0.039 0.1591
Brugia malayi Animal haem peroxidase family protein 0.0243 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Toxoplasma gondii PAN domain-containing protein 0.0077 0.039 0.0436
Trypanosoma cruzi UDP-galactopyranose mutase 0.0076 0.038 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Echinococcus multilocularis 0.0076 0.038 0.0964
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Echinococcus multilocularis p2X purinoceptor 4 0.0037 0.001 0.0025
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Leishmania major hypothetical protein, conserved 0.0045 0.0088 0.2314
Echinococcus multilocularis enteropeptidase 0.0066 0.0281 0.0714
Onchocerca volvulus 0.0077 0.039 0.1591
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0714
Chlamydia trachomatis protoporphyrinogen oxidase 0.0076 0.038 0.5
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Brugia malayi amine oxidase, flavin-containing family protein 0.0076 0.038 0.1911
Schistosoma mansoni P2X receptor subunit 0.0037 0.001 0.0029
Echinococcus granulosus glycoprotein Antigen 5 0.0066 0.0281 0.0852
Onchocerca volvulus 0.0066 0.0281 0.1018
Echinococcus multilocularis peroxidasin 0.0243 0.1988 0.5046
Onchocerca volvulus 0.0243 0.1988 1
Toxoplasma gondii microneme protein MIC17B 0.0077 0.039 0.0436
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0067 0.0293 0.1473
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0067 0.0293 0.0887
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Schistosoma mansoni peroxidasin 0.0243 0.1988 0.6023
Mycobacterium ulcerans monoamine oxidase 0.0076 0.038 0.0101
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0076 0.038 0.0421
Brugia malayi Trypsin family protein 0.0066 0.0281 0.1415
Echinococcus multilocularis tissue type plasminogen activator 0.0045 0.0088 0.0223
Onchocerca volvulus Peroxidase homolog 0.0243 0.1988 1
Echinococcus granulosus transmembrane protease serine 3 0.0066 0.0281 0.0852
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0055 0.018 0.0544
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Brugia malayi Blistered cuticle protein 3 0.0243 0.1988 1
Brugia malayi Protein kinase domain containing protein 0.0045 0.0088 0.0442
Onchocerca volvulus 0.0076 0.038 0.1536
Toxoplasma gondii microneme protein MIC17C 0.0077 0.039 0.0436
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Echinococcus granulosus p2X purinoceptor 4 0.0037 0.001 0.0029
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Echinococcus multilocularis neuropeptide receptor 0.0088 0.05 0.1268
Loa Loa (eye worm) PAN domain-containing protein 0.0077 0.039 0.1963
Onchocerca volvulus Peroxidase homolog 0.0243 0.1988 1
Toxoplasma gondii PAN/Apple domain-containing protein 0.0077 0.039 0.0436
Brugia malayi hypothetical protein 0.0076 0.038 0.1911
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0076 0.038 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Schistosoma mansoni P2X receptor subunit 0.0037 0.001 0.0029
Schistosoma mansoni hypothetical protein 0.0066 0.0281 0.0852
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0076 0.038 0.1151
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1076 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Echinococcus granulosus p2X purinoceptor 4 0.0037 0.001 0.0029
Loa Loa (eye worm) PAN domain-containing protein 0.0077 0.039 0.1963
Echinococcus multilocularis G protein coupled receptor 139 0.0088 0.05 0.1268
Onchocerca volvulus 0.0066 0.0281 0.1018
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Echinococcus multilocularis p2X purinoceptor 4 0.0037 0.001 0.0025
Treponema pallidum sodium- and chloride- dependent transporter 0.0067 0.0293 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0077 0.0395 0.1003
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Loa Loa (eye worm) PAN domain-containing protein 0.0077 0.039 0.1963
Toxoplasma gondii PAN domain-containing protein 0.0767 0.7029 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Onchocerca volvulus 0.0077 0.039 0.1591
Schistosoma mansoni P2X receptor subunit 0.0037 0.001 0.0029
Onchocerca volvulus 0.0067 0.0293 0.1079
Schistosoma mansoni neuropeptide receptor 0.0088 0.05 0.1514
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Onchocerca volvulus 0.0077 0.039 0.1591
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Loa Loa (eye worm) norepinephrine transporter 0.0067 0.0293 0.1473
Loa Loa (eye worm) solute carrier family 6 member 4 0.0067 0.0293 0.1473
Trypanosoma cruzi UDP-galactopyranose mutase 0.0076 0.038 1
Onchocerca volvulus 0.0066 0.0281 0.1018
Loa Loa (eye worm) blistered cuticle protein 3 0.0243 0.1988 1
Plasmodium vivax hypothetical protein, conserved 0.0076 0.038 1
Brugia malayi hypothetical protein 0.0243 0.1988 1
Onchocerca volvulus 0.0077 0.039 0.1591
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Echinococcus granulosus peroxidasin 0.0243 0.1988 0.6023
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Echinococcus multilocularis Mastin 0.0066 0.0281 0.0714
Onchocerca volvulus 0.0243 0.1988 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0088 0.2314
Schistosoma mansoni P2X receptor subunit 0.0037 0.001 0.0029
Brugia malayi Peroxidasin 0.0243 0.1988 1
Echinococcus multilocularis neuropeptide s receptor 0.0257 0.2121 0.5386
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Onchocerca volvulus 0.0077 0.039 0.1591
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Echinococcus multilocularis protoporphyrinogen oxidase 0.0076 0.038 0.0964
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0077 0.039 0.0436
Brugia malayi hypothetical protein 0.0066 0.0281 0.1415
Plasmodium vivax hypothetical protein, conserved 0.0076 0.038 1
Echinococcus multilocularis p2X purinoceptor 4 0.0037 0.001 0.0025
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Brugia malayi Trypsin family protein 0.0066 0.0281 0.1415
Mycobacterium ulcerans dehydrogenase 0.0076 0.038 0.0101
Loa Loa (eye worm) TK/ROR protein kinase 0.0045 0.0088 0.0442
Loa Loa (eye worm) hypothetical protein 0.0067 0.0299 0.1503
Toxoplasma gondii histone lysine-specific demethylase 0.0076 0.038 0.0421
Echinococcus granulosus neuropeptide s receptor 0.0257 0.2121 0.6428
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Echinococcus multilocularis neuropeptide receptor A26 0.0257 0.2121 0.5386
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0054 0.0172 1
Loa Loa (eye worm) PAN domain-containing protein 0.0077 0.039 0.1963
Toxoplasma gondii hypothetical protein 0.0077 0.039 0.0436
Schistosoma mansoni hypothetical protein 0.0066 0.0281 0.0852
Brugia malayi Trypsin family protein 0.0066 0.0281 0.1415
Onchocerca volvulus 0.0066 0.0281 0.1018
Mycobacterium ulcerans oxidoreductase 0.0076 0.038 0.0101
Onchocerca volvulus 0.0077 0.039 0.1591
Onchocerca volvulus Dual oxidase homolog 0.0243 0.1988 1
Toxoplasma gondii microneme protein, putative 0.0077 0.039 0.0436
Echinococcus granulosus tissue type plasminogen activator 0.0045 0.0088 0.0266
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Onchocerca volvulus Peroxidasin homolog 0.0243 0.1988 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0172 0.0863
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0066 0.0281 0.0852
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Echinococcus granulosus Niemann Pick C1 protein 0.0054 0.0172 0.052
Loa Loa (eye worm) hypothetical protein 0.0067 0.0293 0.1473
Onchocerca volvulus 0.0077 0.039 0.1591
Loa Loa (eye worm) hypothetical protein 0.0243 0.1988 1
Toxoplasma gondii subtilisin SUB12 0.0077 0.039 0.0436
Echinococcus granulosus lysine specific histone demethylase 1A 0.0076 0.038 0.1151
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Brugia malayi Niemann-Pick C1 protein precursor 0.0054 0.0172 0.0863
Echinococcus granulosus expressed conserved protein 0.0051 0.014 0.0424
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Loa Loa (eye worm) hypothetical protein 0.0076 0.038 0.1911
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0066 0.0281 0.0852
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0076 0.038 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0066 0.0281 0.0714
Brugia malayi Animal haem peroxidase family protein 0.0243 0.1988 1
Echinococcus granulosus microtubule associated protein 2 0.0379 0.33 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Schistosoma mansoni cercarial elastase (S01 family) 0.0066 0.0281 0.0852
Toxoplasma gondii microneme protein MIC4 0.0077 0.039 0.0436
Schistosoma mansoni peroxidasin 0.0243 0.1988 0.6023
Onchocerca volvulus Chorion peroxidase homolog 0.0243 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0281 0.1415
Echinococcus multilocularis Niemann Pick C1 protein 0.0054 0.0172 0.0436
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Echinococcus granulosus enteropeptidase 0.0066 0.0281 0.0852
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0066 0.0281 0.0852
Echinococcus granulosus Mastin 0.0066 0.0281 0.0852
Onchocerca volvulus 0.0077 0.039 0.1591
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Onchocerca volvulus 0.0077 0.039 0.1591
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0076 0.038 1
Echinococcus multilocularis serotonin transporter 0.0067 0.0293 0.0743
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1 0.9271 1
Brugia malayi hypothetical protein 0.0067 0.0299 0.1503
Brugia malayi Kringle domain containing protein 0.0045 0.0088 0.0442
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0076 0.038 0.0964
Onchocerca volvulus 0.0066 0.0281 0.1018
Brugia malayi Animal haem peroxidase family protein 0.0243 0.1988 1
Echinococcus granulosus serotonin transporter 0.0067 0.0293 0.0887
Brugia malayi PAN domain containing protein 0.0077 0.039 0.1963
Toxoplasma gondii hypothetical protein 0.0077 0.039 0.0436
Loa Loa (eye worm) PAN domain-containing protein 0.0077 0.039 0.1963
Schistosoma mansoni hypothetical protein 0.0045 0.0088 0.0266
Echinococcus granulosus p2X purinoceptor 4 0.0037 0.001 0.0029
Brugia malayi Trypsin family protein 0.0066 0.0281 0.1415
Toxoplasma gondii PAN domain-containing protein 0.0077 0.039 0.0436
Echinococcus granulosus neuropeptide receptor A26 0.0257 0.2121 0.6428
Loa Loa (eye worm) hypothetical protein 0.0077 0.039 0.1963
Brugia malayi SWIRM domain containing protein 0.0076 0.038 0.1911
Onchocerca volvulus 0.0066 0.0281 0.1018

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -8.55 Inhibitory activity against monoamine oxidase B ChEMBL. 11543689
IC50 (binding) = -6.24 Inhibitory activity against monoamine oxidase A ChEMBL. 11543689
IC50 (binding) = 6.24 Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% ChEMBL. 11123983
IC50 (binding) = 8.55 Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% ChEMBL. 11123983
IC50 (binding) = 8.55 Inhibition of rat brain MAOB ChEMBL. 17034132
IC50 (binding) = 9.04 Inhibition of human supersomes MAOB ChEMBL. 17034132
IC50 (binding) = 5.03 nM Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method LITERATURE. 27692996
IC50 (binding) = 0.003 uM Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry LITERATURE. 27692996
IC50 (binding) = 0.575 uM Inhibition of rat brain mitochondrial MAOA using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry LITERATURE. 27692996
IC50 (binding) > 100 uM Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method LITERATURE. 27692996
Log IC50 (binding) = 6.24 Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% ChEMBL. 11123983
Log IC50 (binding) = 6.24 Inhibitory activity against monoamine oxidase A ChEMBL. 11543689
Log IC50 (binding) = 8.55 Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% ChEMBL. 11123983
Log IC50 (binding) = 8.55 Inhibitory activity against monoamine oxidase B ChEMBL. 11543689
Log IC50 (binding) = 8.55 Inhibition of rat brain MAOB ChEMBL. 17034132
Log IC50 (binding) = 9.04 Inhibition of human supersomes MAOB ChEMBL. 17034132
pKinc (binding) = 5.11 Non-competitive inhibitory activity against acetylcholinesterase (AChE) ChEMBL. 11543689
pKinc (binding) = 5.11 Non-competitive inhibitory activity against acetylcholinesterase (AChE) ChEMBL. 11543689

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

4 literature references were collected for this gene.

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