Detailed information for compound 1434842

Basic information

Technical information
  • TDR Targets ID: 1434842
  • Name: 5,6-dimethylbenzimidazol-1-amine
  • MW: 161.204 | Formula: C9H11N3
  • H donors: 1 H acceptors: 1 LogP: 1.92 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2ncn(c2cc1C)N
  • InChi: 1S/C9H11N3/c1-6-3-8-9(4-7(6)2)12(10)5-11-8/h3-5H,10H2,1-2H3
  • InChiKey: BTJYWJVLRHNVAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,6-dimethyl-1-benzimidazolamine
  • (5,6-dimethylbenzimidazol-1-yl)amine
  • STOCK1S-08574
  • ZINC00332714
  • MLS000078865
  • SMR000036669
  • Oprea1_044954
  • 5,6-dimethyl-1H-benzimidazol-1-ylamine
  • AE-848/30538005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0126 0.1564 0.3546
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0058 0.0533 0.0533
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0127 0.1578 0.1578
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0126 0.1564 0.3546
Schistosoma mansoni acetylcholine receptor subunit beta 0.0058 0.0533 0.3179
Brugia malayi excitatory GABA receptor EXP-1A 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.1578 0.9408
Chlamydia trachomatis protoporphyrinogen oxidase 0.0024 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.1578 0.9408
Onchocerca volvulus 0.0043 0.0305 0.1933
Brugia malayi Cytochrome P450 family protein 0.0126 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Schistosoma mansoni lipoxygenase 0.0093 0.1064 0.6342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0458 0.2729
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0058 0.0533 0.3179
Onchocerca volvulus 0.0127 0.1578 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Schistosoma mansoni nAChR subunit 0.0058 0.0533 0.3179
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Echinococcus granulosus nAChR subunit 0.0127 0.1578 0.9408
Plasmodium falciparum protoporphyrinogen oxidase 0.0024 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0266 0.3724 0.3724
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0127 0.1578 0.9408
Leishmania major hypothetical protein, conserved 0.0043 0.0305 0.0819
Onchocerca volvulus 0.0043 0.0305 0.1933
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0058 0.0533 0.0533
Onchocerca volvulus 0.003 0.0093 0.0589
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0127 0.1578 0.9408
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0048 0.0108
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3898 0.8837
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0126 0.1564 0.3546
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0126 0.1564 0.3277
Brugia malayi Animal haem peroxidase family protein 0.003 0.0093 0.0093
Loa Loa (eye worm) cytochrome P450 0.0126 0.1564 0.1564
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0068 0.0683 0.0683
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0305 0.5
Schistosoma mansoni neurotransmitter gated ion channel 0.0068 0.0683 0.4074
Onchocerca volvulus Peroxidase homolog 0.003 0.0093 0.0589
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0305 0.1819
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0048 0.01
Onchocerca volvulus 0.0058 0.0533 0.3379
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0126 0.1564 0.3277
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0305 0.0639
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0305 0.0692
Schistosoma mansoni acetylcholine receptor-related 0.0058 0.0533 0.3179
Brugia malayi Animal haem peroxidase family protein 0.003 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Trypanosoma brucei cytochrome P450, putative 0.0266 0.3724 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0126 0.1564 0.3546
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 0.1678 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0305 0.1819
Leishmania major cytochrome p450-like protein 0.0126 0.1564 0.4199
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0127 0.1578 0.1578
Onchocerca volvulus Peroxidase homolog 0.003 0.0093 0.0589
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1578 0.1578
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.1578 0.9408
Schistosoma mansoni peroxidasin 0.003 0.0093 0.0554
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0058 0.0533 0.3179
Brugia malayi hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0617 0.9105 0.9105
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0127 0.1578 0.9408
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0683 0.0683
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0058 0.0533 0.3179
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0126 0.1564 0.3546
Brugia malayi hypothetical protein 0.003 0.0093 0.0093
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0048 0.01
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) cytochrome P450 family protein 0.0266 0.3724 0.3724
Schistosoma mansoni neurotransmitter gated ion channel 0.0058 0.0533 0.3179
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0126 0.1564 0.9322
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Loa Loa (eye worm) GABA receptor subunit 0.0068 0.0683 0.0683
Mycobacterium tuberculosis Conserved protein 0.0043 0.0305 0.0692
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0093 0.0093
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0127 0.1578 0.1578
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0127 0.1578 0.9408
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0058 0.0533 0.3179
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0126 0.1564 0.3546
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0533 0.0533
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0024 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0048 0.0128
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.1578 0.9408
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0126 0.1564 0.4199
Onchocerca volvulus 0.003 0.0093 0.0589
Onchocerca volvulus Putative nachr subunit 0.0127 0.1578 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Mycobacterium ulcerans hypothetical protein 0.0027 0.0048 0.01
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.1578 0.9408
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0093 0.0093
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0127 0.1578 0.9408
Onchocerca volvulus Peroxidasin homolog 0.003 0.0093 0.0589
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0048 0.01
Loa Loa (eye worm) hypothetical protein 0.0027 0.0048 0.0048
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0058 0.0533 0.3179
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0127 0.1578 0.1578
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0126 0.1564 0.3546
Onchocerca volvulus Dual oxidase homolog 0.003 0.0093 0.0589
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0048 0.01
Loa Loa (eye worm) acetylcholine receptor protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0126 0.1564 0.3546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0458 0.0458
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0126 0.1564 0.3546
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0027 0.0048 0.0048
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0058 0.0533 0.0533
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0335 0.4772 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0266 0.3724 0.7804
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0126 0.1564 0.3277
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Trypanosoma cruzi cytochrome P450, putative 0.0266 0.3724 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0126 0.1564 0.3681
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0126 0.1564 0.3546
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0305 0.0692
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0127 0.1578 0.1578
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0305 0.5
Brugia malayi Cytochrome P450 family protein 0.0266 0.3724 0.3724
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0305 0.0819
Mycobacterium leprae putative cytochrome p450 0.0126 0.1564 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0126 0.1564 0.3277
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0458 0.2729
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0533 0.0533
Brugia malayi Cation transporter family protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0305 0.1819
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0048 0.0304
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.1578 0.9408
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0048 0.0128
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0126 0.1564 0.3277
Echinococcus multilocularis peroxidasin 0.003 0.0093 0.0554
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0126 0.1564 0.3277
Brugia malayi beta-lactamase family protein 0.0043 0.0305 0.0305
Brugia malayi beta-lactamase 0.0043 0.0305 0.0305
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0048 0.01
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0305 0.0639
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0127 0.1578 0.9408
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0048 0.0048
Onchocerca volvulus 0.0068 0.0683 0.4331
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0126 0.1564 0.3546
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0093 0.0093
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0127 0.1578 0.1578
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0126 0.1564 0.3546
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0305 0.0305
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0126 0.1564 0.3277
Toxoplasma gondii ABC1 family protein 0.0043 0.0305 0.1951
Onchocerca volvulus Peroxidasin homolog 0.003 0.0093 0.0589
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1578 0.1578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Brugia malayi hypothetical protein 0.0058 0.0533 0.0533
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0126 0.1564 0.3546
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0305 0.0692
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Mycobacterium tuberculosis Conserved protein 0.0043 0.0305 0.0692
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0126 0.1564 0.3277
Brugia malayi Blistered cuticle protein 3 0.003 0.0093 0.0093
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0127 0.1578 0.1578
Onchocerca volvulus 0.0127 0.1578 1
Onchocerca volvulus 0.0127 0.1578 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0305 0.0692
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0305 0.1951
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Brugia malayi hypothetical protein 0.0058 0.0533 0.0533
Brugia malayi Cytochrome P450 family protein 0.0454 0.6598 0.6598
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Onchocerca volvulus Chorion peroxidase homolog 0.003 0.0093 0.0589
Echinococcus multilocularis nAChR subunit 0.0127 0.1578 0.9408
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0305 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0127 0.1578 0.1578
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Echinococcus granulosus cytochrome P450 2K1 0.0126 0.1564 0.9322
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1578 0.9408
Mycobacterium leprae Probable lipase LipE 0.0043 0.0305 0.1951
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0305 0.0692
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0048 0.0128
Onchocerca volvulus 0.0027 0.0048 0.0301
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0126 0.1564 0.3277
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0048 0.01
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0305 0.0692
Leishmania major cytochrome p450-like protein 0.0126 0.1564 0.4199
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1578 0.9408
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0027 0.0048 0.0048
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0126 0.1564 0.3277
Onchocerca volvulus 0.0127 0.1578 1
Brugia malayi Animal haem peroxidase family protein 0.003 0.0093 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0458 0.2729
Entamoeba histolytica hypothetical protein 0.0068 0.0683 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0127 0.1578 0.9408
Leishmania major cytochrome p450-like protein 0.0266 0.3724 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Schistosoma mansoni lipoxygenase 0.0133 0.1678 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0311 0.4411 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0305 0.0692
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0126 0.1564 0.3277
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0126 0.1564 0.3277
Loa Loa (eye worm) beta-lactamase 0.0043 0.0305 0.0305
Echinococcus granulosus peroxidasin 0.003 0.0093 0.0554
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Onchocerca volvulus 0.0127 0.1578 1
Trypanosoma cruzi cytochrome P450, putative 0.0266 0.3724 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0126 0.1564 0.3546
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0126 0.1564 0.3546
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0458 0.0458
Brugia malayi Cation transporter family protein 0.0127 0.1578 0.1578
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0305 0.0305
Onchocerca volvulus 0.0058 0.0533 0.3379
Toxoplasma gondii cytochrome p450 superfamily protein 0.0126 0.1564 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0305 0.0639
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0683 0.0683
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0133 0.1678 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0126 0.1564 0.4199
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0126 0.1564 0.3277
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0127 0.1578 0.9408
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0305 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0048 0.0108
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0458 0.2729
Brugia malayi hypothetical protein 0.0058 0.0533 0.0533
Echinococcus multilocularis 0.0126 0.1564 0.9322
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0305 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0458 0.2729
Onchocerca volvulus 0.003 0.0093 0.0589
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0126 0.1564 0.3546
Loa Loa (eye worm) hypothetical protein 0.0141 0.1799 0.1799
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0458 0.2729
Brugia malayi Animal haem peroxidase family protein 0.003 0.0093 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0458 0.2729
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Onchocerca volvulus 0.0043 0.0305 0.1933
Loa Loa (eye worm) hypothetical protein 0.0676 1 1
Onchocerca volvulus 0.0058 0.0533 0.3379
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0126 0.1564 0.3546
Echinococcus granulosus nAChR subunit 0.0068 0.0683 0.4074
Loa Loa (eye worm) ACC-1 protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Mycobacterium ulcerans beta-lactamase 0.0043 0.0305 0.0639
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Brugia malayi hypothetical protein 0.0058 0.0533 0.0533
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0305 0.1819
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1578 0.1578
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0068 0.0683 0.4074
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0126 0.1564 0.3277
Brugia malayi Peroxidasin 0.003 0.0093 0.0093
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0127 0.1578 0.9408
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0305 1
Trichomonas vaginalis esterase, putative 0.0043 0.0305 0.5
Loa Loa (eye worm) ACC-1 protein 0.0127 0.1578 0.1578
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.1578 0.9408
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0126 0.1564 0.3546
Loa Loa (eye worm) LGC-31 protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Brugia malayi beta-lactamase family protein 0.0043 0.0305 0.0305
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0048 0.0304
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1578 0.9408
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0126 0.1564 0.4199
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0058 0.0533 0.0533
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1578 0.9408
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.0533
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0048 0.01
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.1578 0.9408
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0126 0.1564 0.3546
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0126 0.1564 0.4199
Schistosoma mansoni cytochrome P450 0.0126 0.1564 0.9322
Mycobacterium ulcerans hypothetical protein 0.0043 0.0305 0.0639
Mycobacterium tuberculosis Conserved protein 0.0043 0.0305 0.0692
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0126 0.1564 0.3277
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0068 0.0683 0.4074
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Onchocerca volvulus 0.0068 0.0683 0.4331
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0068 0.0683 0.0683
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0126 0.1564 0.3277
Brugia malayi Animal haem peroxidase family protein 0.003 0.0093 0.0093
Loa Loa (eye worm) cytochrome P450 family protein 0.0454 0.6598 0.6598
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0126 0.1564 0.3277
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0126 0.1564 0.3277
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0126 0.1564 0.3277
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0127 0.1578 0.9408
Loa Loa (eye worm) CYP4Cod1 0.0266 0.3724 0.3724
Schistosoma mansoni nAChR subunit 0.0058 0.0533 0.3179
Schistosoma mansoni nAChR subunit 0.0127 0.1578 0.9408
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0126 0.1564 0.3277
Schistosoma mansoni neurotransmitter gated ion channel 0.0058 0.0533 0.3179
Loa Loa (eye worm) hypothetical protein 0.0127 0.1578 0.1578
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0335 0.4772 1
Echinococcus multilocularis nAChR subunit 0.0068 0.0683 0.4074
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0126 0.1564 0.3546
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0127 0.1578 0.1578
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0058 0.0533 0.0533
Loa Loa (eye worm) cytochrome P450 family protein 0.0266 0.3724 0.3724
Loa Loa (eye worm) blistered cuticle protein 3 0.003 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0068 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0043 0.0305 0.0305
Onchocerca volvulus 0.0127 0.1578 1
Brugia malayi Cation transporter family protein 0.0127 0.1578 0.1578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1578 0.1578
Schistosoma mansoni peroxidasin 0.003 0.0093 0.0554
Brugia malayi cytochrome P450 0.0126 0.1564 0.1564
Mycobacterium leprae Conserved hypothetical protein 0.0126 0.1564 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0305 0.0819

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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