Detailed information for compound 1855100

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.466 | Formula: C20H21N3S
  • H donors: 1 H acceptors: 1 LogP: 5.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCCC(=NNc2scc(n2)c2ccc3c(c2)cccc3)CC1
  • InChi: 1S/C20H21N3S/c1-2-4-10-18(9-3-1)22-23-20-21-19(14-24-20)17-12-11-15-7-5-6-8-16(15)13-17/h5-8,11-14H,1-4,9-10H2,(H,21,23)
  • InChiKey: JHDIVSCVIHHGQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase A Starlite/ChEMBL No references
Homo sapiens monoamine oxidase B Starlite/ChEMBL No 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
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase B 520 aa 462 aa 19.7 %
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase A 527 aa 474 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0048 0.0133 0.0384
Mycobacterium leprae conserved hypothetical protein 0.0048 0.0133 0.029
Onchocerca volvulus Phospholipase A2 homolog 0.0378 0.346 1
Plasmodium vivax hypothetical protein, conserved 0.0048 0.0133 0.0133
Schistosoma mansoni microtubule-associated protein tau 0.0597 0.567 1
Brugia malayi jmjC domain containing protein 0.0064 0.0286 0.0458
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0285 0.2523 0.2523
Brugia malayi Carboxylesterase family protein 0.0055 0.0197 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0139 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0133 0.0369
Loa Loa (eye worm) carboxylesterase 0.0324 0.2917 0.4678
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0055 0.0197 0.0293
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0154 0.0154
Mycobacterium ulcerans oxidoreductase 0.0051 0.0154 0.0154
Onchocerca volvulus 0.0048 0.0133 0.0384
Mycobacterium tuberculosis Probable lipase LipD 0.0048 0.0133 0.004
Leishmania major mitochondrial DNA topoisomerase II 0.0392 0.3598 1
Mycobacterium ulcerans beta-lactamase 0.0048 0.0133 0.0133
Plasmodium falciparum DNA gyrase subunit A 0.1026 1 1
Plasmodium vivax DNA topoisomerase II, putative 0.0222 0.1883 0.1883
Mycobacterium tuberculosis Probable lipase LipE 0.0048 0.0133 0.004
Echinococcus multilocularis acetylcholinesterase 0.0324 0.2917 0.4338
Chlamydia trachomatis DNA gyrase subunit B 0.0494 0.4625 0.4625
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0702 0.6725 1
Trichomonas vaginalis esterase, putative 0.0048 0.0133 0.03
Mycobacterium tuberculosis Conserved protein 0.0048 0.0133 0.004
Mycobacterium tuberculosis Carboxylesterase LipT 0.0055 0.0197 0.0105
Brugia malayi SWIRM domain containing protein 0.0051 0.0154 0.0246
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Trypanosoma cruzi DNA topoisomerase II, putative 0.0187 0.1527 0.4244
Mycobacterium tuberculosis Possible oxidoreductase 0.0051 0.0154 0.0061
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0048 0.0133 0.004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0139 0.0245
Trichomonas vaginalis D-aminoacylase, putative 0.0048 0.0133 0.03
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0154 0.0271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0139 0.0245
Echinococcus granulosus muscleblind protein 0.0129 0.0948 0.1673
Plasmodium vivax DNA gyrase subunit B, putative 0.0494 0.4625 0.4625
Loa Loa (eye worm) hypothetical protein 0.0129 0.0948 0.1521
Trichomonas vaginalis inositol monophosphatase, putative 0.005 0.0145 0.0328
Chlamydia trachomatis DNA gyrase subunit A 0.0107 0.0719 0.0719
Brugia malayi Carboxylesterase family protein 0.0055 0.0197 0.0316
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.0286 0.0504
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.6372 0.6338
Onchocerca volvulus 0.0055 0.0197 0.0569
Entamoeba histolytica myo-inositol monophosphatase, putative 0.005 0.0145 0.0772
Mycobacterium ulcerans DNA gyrase subunit A 0.1026 1 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0494 0.4625 0.4574
Onchocerca volvulus 0.0055 0.0197 0.0569
Trichomonas vaginalis penicillin-binding protein, putative 0.0048 0.0133 0.03
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Schistosoma mansoni gliotactin 0.0055 0.0197 0.0347
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0392 0.3598 1
Toxoplasma gondii ABC1 family protein 0.0048 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Echinococcus granulosus acetylcholinesterase 0.0324 0.2917 0.5145
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0197 0.0347
Toxoplasma gondii histone lysine-specific demethylase 0.0051 0.0154 0.0154
Echinococcus multilocularis muscleblind protein 0.0129 0.0948 0.141
Echinococcus granulosus tumor protein p63 0.0231 0.1971 0.3476
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.0286 0.0425
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.1026 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Echinococcus multilocularis BC026374 protein (S09 family) 0.0055 0.0197 0.0293
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.005 0.0145 0.0145
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.1026 1 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0494 0.4625 0.4625
Loa Loa (eye worm) acetylcholinesterase 1 0.0324 0.2917 0.4678
Schistosoma mansoni amine oxidase 0.0051 0.0154 0.0271
Mycobacterium tuberculosis Conserved protein 0.0048 0.0133 0.004
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0048 0.0133 0.0213
Loa Loa (eye worm) beta-lactamase 0.0048 0.0133 0.0213
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.005 0.0145 0.0404
Loa Loa (eye worm) hypothetical protein 0.0324 0.2917 0.4678
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Echinococcus multilocularis muscleblind protein 1 0.0129 0.0948 0.141
Trichomonas vaginalis penicillin-binding protein, putative 0.0048 0.0133 0.03
Loa Loa (eye worm) hypothetical protein 0.008 0.0447 0.0717
Brugia malayi Carboxylesterase family protein 0.0055 0.0197 0.0316
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Loa Loa (eye worm) hypothetical protein 0.0107 0.0719 0.1153
Loa Loa (eye worm) hypothetical protein 0.0653 0.6236 1
Loa Loa (eye worm) glutaminase 0.0474 0.4431 0.7105
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0048 0.0133 0.004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0139 0.0223
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0048 0.0133 0.0234
Brugia malayi Inositol-1 0.005 0.0145 0.0233
Echinococcus granulosus geminin 0.0182 0.1478 0.2606
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Schistosoma mansoni hypothetical protein 0.0182 0.1478 0.2606
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Onchocerca volvulus 0.0055 0.0197 0.0569
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0051 0.0154 0.0154
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.005 0.0145 0.0404
Brugia malayi Carboxylesterase family protein 0.0324 0.2917 0.4678
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0133 0.0369
Echinococcus multilocularis neuroligin 0.0055 0.0197 0.0293
Plasmodium falciparum protoporphyrinogen oxidase 0.0051 0.0154 0.0154
Mycobacterium ulcerans dehydrogenase 0.0051 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Onchocerca volvulus 0.0051 0.0154 0.0444
Echinococcus granulosus beta LACTamase domain containing family member 0.0048 0.0133 0.0234
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.6882 0.6882
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0051 0.0154 0.0228
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0055 0.0197 0.0105
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0187 0.1527 0.4244
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Echinococcus multilocularis para nitrobenzyl esterase 0.0055 0.0197 0.0293
Echinococcus granulosus BC026374 protein S09 family 0.0055 0.0197 0.0347
Loa Loa (eye worm) hypothetical protein 0.0378 0.346 0.5549
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.005 0.0145 0.0145
Brugia malayi glutaminase DH11.1 0.0474 0.4431 0.7105
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0154 0.0427
Echinococcus granulosus acetylcholinesterase 0.0324 0.2917 0.5145
Giardia lamblia DNA topoisomerase II 0.0206 0.1727 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0222 0.1883 0.28
Schistosoma mansoni hypothetical protein 0.0182 0.1478 0.2606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0139 0.0207
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0055 0.0197 0.0445
Echinococcus granulosus neuroligin 0.0055 0.0197 0.0347
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Trichomonas vaginalis DNA topoisomerase II, putative 0.0222 0.1883 0.425
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.0133 0.0369
Echinococcus multilocularis tumor protein p63 0.0231 0.1971 0.2931
Onchocerca volvulus Phospholipase A2 homolog 0.008 0.0447 0.1293
Brugia malayi hypothetical protein 0.0051 0.0154 0.0246
Schistosoma mansoni DNA topoisomerase II 0.0222 0.1883 0.3321
Loa Loa (eye worm) glutaminase 2 0.0474 0.4431 0.7105
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1026 1 1
Brugia malayi Carboxylesterase family protein 0.0324 0.2917 0.4678
Trichomonas vaginalis myo inositol monophosphatase, putative 0.005 0.0145 0.0328
Schistosoma mansoni jumonji domain containing protein 0.0051 0.0154 0.0271
Loa Loa (eye worm) hypothetical protein 0.0107 0.0719 0.1153
Echinococcus multilocularis protoporphyrinogen oxidase 0.0051 0.0154 0.0228
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0197 0.0347
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0048 0.0133 0.0234
Loa Loa (eye worm) hypothetical protein 0.0051 0.0154 0.0246
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0139 0.0245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0139 0.0245
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0139 0.0223
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0222 0.1883 0.5442
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0222 0.1883 0.302
Loa Loa (eye worm) hypothetical protein 0.008 0.0452 0.0724
Mycobacterium ulcerans lipase LipD 0.0048 0.0133 0.0133
Loa Loa (eye worm) TOPoisomerase family member 0.0222 0.1883 0.302
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.005 0.0145 0.0404
Echinococcus multilocularis inositol monophosphatase 1 0.005 0.0145 0.0216
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0154 0.0427
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0051 0.0154 0.0154
Leishmania major UDP-galactopyranose mutase 0.0051 0.0154 0.0427
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0222 0.1883 0.3321
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Trichomonas vaginalis D-aminoacylase, putative 0.0048 0.0133 0.03
Trichomonas vaginalis spcc417.12 protein, putative 0.0055 0.0197 0.0445
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.017 0.1359 0.2966
Mycobacterium ulcerans glutaminase 0.0474 0.4431 0.4431
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0222 0.1883 0.5442
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.6882 0.6882
Echinococcus granulosus microtubule associated protein 2 0.0597 0.567 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0197 0.0347
Mycobacterium ulcerans DNA gyrase subunit B 0.0494 0.4625 0.4625
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.0466 0.0747
Schistosoma mansoni acetylcholinesterase 0.0055 0.0197 0.0347
Leishmania major DNA topoisomerase ii 0.0187 0.1527 0.4244
Loa Loa (eye worm) carboxylesterase 0.0055 0.0197 0.0316
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0324 0.2917 0.5145
Echinococcus granulosus carboxylesterase 5A 0.0324 0.2917 0.5145
Loa Loa (eye worm) hypothetical protein 0.0324 0.2917 0.4678
Echinococcus multilocularis microtubule associated protein 2 0.0597 0.567 0.8431
Brugia malayi hypothetical protein 0.0055 0.0197 0.0316
Brugia malayi amine oxidase, flavin-containing family protein 0.0051 0.0154 0.0246
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0494 0.4625 0.4625
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0489 0.4581 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0154 0.0271
Chlamydia trachomatis DNA gyrase subunit B 0.0324 0.291 0.291
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0055 0.0197 0.0105
Brugia malayi Probable DNA topoisomerase II 0.0222 0.1883 0.302
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0309 0.2767 0.2699
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Brugia malayi Phospholipase A2 family protein 0.008 0.0447 0.0717
Mycobacterium ulcerans esterase/lipase LipP 0.0048 0.0133 0.0133
Entamoeba histolytica DNA topoisomerase II, putative 0.0222 0.1883 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0051 0.0154 0.0271
Onchocerca volvulus 0.0048 0.0133 0.0384
Mycobacterium leprae Probable lipase LipE 0.0048 0.0133 0.029
Echinococcus granulosus para nitrobenzyl esterase 0.0055 0.0197 0.0347
Trichomonas vaginalis myo inositol monophosphatase, putative 0.005 0.0145 0.0328
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0653 0.6236 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0051 0.0154 0.0335
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0044 0.0093 0.0203
Loa Loa (eye worm) inositol-1 0.005 0.0145 0.0233
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0051 0.0154 0.0154
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0222 0.1883 0.302
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0048 0.0133 0.004
Chlamydia trachomatis protoporphyrinogen oxidase 0.0051 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0051 0.0154 0.0271
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0051 0.0154 0.0154
Mycobacterium ulcerans hypothetical protein 0.0048 0.0133 0.0133
Onchocerca volvulus 0.0055 0.0197 0.0569
Onchocerca volvulus 0.0055 0.0197 0.0569
Schistosoma mansoni neuroligin 3 (S09 family) 0.0055 0.0197 0.0347
Trypanosoma brucei DNA topoisomerase ii 0.0392 0.3598 1
Mycobacterium tuberculosis Probable esterase LipL 0.0048 0.0133 0.004
Loa Loa (eye worm) carboxylesterase 0.0055 0.0197 0.0316
Echinococcus multilocularis 0.0051 0.0154 0.0228
Plasmodium vivax DNA gyrase subunit A, putative 0.1026 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0187 0.1527 0.4244
Echinococcus multilocularis acetylcholinesterase 0.0324 0.2917 0.4338
Brugia malayi beta-lactamase family protein 0.0048 0.0133 0.0213
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.005 0.0145 0.0404
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.1026 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0081 0.0466 0.0747
Trichomonas vaginalis glutaminase, putative 0.0474 0.4431 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0048 0.0133 0.0213
Leishmania major hypothetical protein, conserved 0.0048 0.0133 0.0369
Loa Loa (eye worm) hypothetical protein 0.0129 0.0948 0.1521
Schistosoma mansoni glutaminase 0.0474 0.4431 0.7815
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0051 0.0154 0.0154
Brugia malayi beta-lactamase 0.0048 0.0133 0.0213
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0048 0.0078
Echinococcus granulosus inositol monophosphatase 1 0.005 0.0145 0.0256
Echinococcus multilocularis beta LACTamase domain containing family member 0.0048 0.0133 0.0197
Schistosoma mansoni amine oxidase 0.0051 0.0154 0.0271
Loa Loa (eye worm) hypothetical protein 0.0048 0.0133 0.0213
Brugia malayi MH2 domain containing protein 0.0081 0.0466 0.0747
Mycobacterium tuberculosis Conserved protein 0.0048 0.0133 0.004
Toxoplasma gondii DNA topoisomerase 2, putative 0.0222 0.1883 0.1883
Loa Loa (eye worm) hypothetical protein 0.008 0.0452 0.0724
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0139 0.0207
Plasmodium falciparum DNA topoisomerase 2 0.0222 0.1883 0.1883
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.0154 0.0061
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0392 0.3598 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0197 0.0316
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0055 0.0197 0.0347
Plasmodium falciparum DNA gyrase subunit B 0.0494 0.4625 0.4625
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0048 0.0133 0.0133
Brugia malayi beta-lactamase family protein 0.0048 0.0133 0.0213
Schistosoma mansoni inositol monophosphatase 0.005 0.0145 0.0256
Echinococcus multilocularis carboxylesterase 5A 0.0324 0.2917 0.4338
Mycobacterium ulcerans monoamine oxidase 0.0051 0.0154 0.0154
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.005 0.0145 0.0145
Trichomonas vaginalis D-aminoacylase, putative 0.0048 0.0133 0.03
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0.0154 0.0154
Mycobacterium tuberculosis Probable hydrolase 0.0048 0.0133 0.004
Mycobacterium ulcerans carboxylesterase, LipT 0.0055 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0636 0.6062 0.972
Schistosoma mansoni inositol monophosphatase 0.005 0.0145 0.0256
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0222 0.1883 0.5442
Echinococcus multilocularis geminin 0.0182 0.1478 0.2197
Brugia malayi Carboxylesterase family protein 0.0055 0.0197 0.0316
Schistosoma mansoni BC026374 protein (S09 family) 0.0055 0.0197 0.0347
Trypanosoma cruzi DNA topoisomerase II, putative 0.0187 0.1527 0.4244
Brugia malayi Muscleblind-like protein 0.0129 0.0948 0.1521

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.33 uM Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate assessed as hydrogen peroxide production by fluorimetric method ChEMBL. No reference
IC50 (binding) = 12.61 uM Inhibition of human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate assessed as hydrogen peroxide production by fluorimetric method ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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