Detailed information for compound 1405880

Basic information

Technical information
  • TDR Targets ID: 1405880
  • Name: ethyl 2-amino-5-oxo-1-(4-piperidin-1-ylphenyl )-4H-pyrrole-3-carboxylate
  • MW: 329.394 | Formula: C18H23N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(N)N(C(=O)C1)c1ccc(cc1)N1CCCCC1
  • InChi: 1S/C18H23N3O3/c1-2-24-18(23)15-12-16(22)21(17(15)19)14-8-6-13(7-9-14)20-10-4-3-5-11-20/h6-9H,2-5,10-12,19H2,1H3
  • InChiKey: FAGVFOHEWHINLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-amino-5-oxo-1-[4-(1-piperidyl)phenyl]-4H-pyrrole-3-carboxylate
  • 2-amino-5-oxo-1-[4-(1-piperidyl)phenyl]-4H-pyrrole-3-carboxylic acid ethyl ester
  • 2-amino-5-keto-1-(4-piperidinophenyl)-2-pyrroline-3-carboxylic acid ethyl ester
  • T5698593
  • ZINC03236443
  • MLS000054630
  • SMR000061346

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
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
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0065 0.0514 0.1059
Loa Loa (eye worm) hypothetical protein 0.0036 0.0103 0.0103
Echinococcus multilocularis pyruvate kinase 0.004 0.0168 0.0117
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3436 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0617 0.1126
Leishmania major cytochrome p450-like protein 0.0101 0.1003 0.5858
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0212 0.011
Mycobacterium tuberculosis Probable conserved integral membrane transport protein YjcE 0.0144 0.1594 0.4365
Toxoplasma gondii Na+/H+ exchanger NHE3 0.0144 0.1594 1
Brugia malayi cytochrome P450 0.0065 0.0514 0.0352
Loa Loa (eye worm) hypothetical protein 0.0144 0.1594 0.1594
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0065 0.0514 0.1059
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0065 0.0514 0.0867
Toxoplasma gondii sodium/hydrogen exchanger NHE2 0.0144 0.1594 1
Brugia malayi glutaminase DH11.1 0.033 0.4156 0.4057
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0078 0.0688 0.0529
Echinococcus multilocularis pyruvate kinase 0.004 0.0168 0.0117
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0212 0.0135
Echinococcus multilocularis mitochondrial sodium:hydrogen exchanger 9B2 0.0144 0.1594 0.1551
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0212 0.011
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0065 0.0514 0.1059
Onchocerca volvulus 0.0043 0.0212 0.0045
Chlamydia trachomatis pyruvate kinase 0.004 0.0168 0.5
Entamoeba histolytica sodium/proton antiporter, putative 0.0144 0.1594 1
Brugia malayi hypothetical protein 0.0144 0.1594 0.1451
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0065 0.0514 0.1059
Loa Loa (eye worm) pyruvate kinase 0.004 0.0168 0.0168
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0212 0.0135
Onchocerca volvulus 0.0043 0.0212 0.0045
Brugia malayi Cytochrome P450 family protein 0.0302 0.3767 0.3661
Loa Loa (eye worm) pyruvate kinase 0.004 0.0168 0.0168
Leishmania major hypothetical protein, conserved 0.0043 0.0212 0.0308
Echinococcus multilocularis 0.0065 0.0514 0.0465
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0212 0.0526
Brugia malayi beta-lactamase family protein 0.0043 0.0212 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0065 0.0514 0.1059
Mycobacterium leprae Conserved hypothetical protein 0.0065 0.0514 0.2425
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0065 0.0514 0.0867
Schistosoma mansoni cytochrome P450 0.0065 0.0514 0.0352
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0065 0.0514 0.1059
Loa Loa (eye worm) glutaminase 0.033 0.4156 0.4156
Loa Loa (eye worm) hypothetical protein 0.0144 0.1594 0.1594
Loa Loa (eye worm) CYP4Cod1 0.0101 0.1003 0.1003
Schistosoma mansoni glutaminase 0.033 0.4156 0.4057
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0065 0.0514 0.1059
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0065 0.0514 0.1059
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0065 0.0514 0.0867
Toxoplasma gondii sodium/hydrogen exchanger 3 protein 0.0144 0.1594 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0065 0.0514 0.0867
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0212 0.011
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0212 0.0135
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0611 0.8019 0.8009
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.1003 0.1003
Brugia malayi beta-lactamase family protein 0.0043 0.0212 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0065 0.0514 0.1059
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0078 0.0688 0.0529
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0065 0.0514 0.1059
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0135
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0135
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0065 0.0514 0.2425
Mycobacterium ulcerans lipase LipD 0.0043 0.0212 0.011
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.0786 0.0629
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0212 0.011
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0065 0.0514 0.2425
Leishmania major cytochrome p450-like protein 0.0065 0.0514 0.2425
Trypanosoma brucei cytochrome P450, putative 0.0101 0.1003 1
Echinococcus granulosus cytochrome P450 2K1 0.0065 0.0514 0.0352
Mycobacterium tuberculosis Conserved protein 0.0043 0.0212 0.0135
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0101 0.1003 0.2095
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0212 0.011
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0212 0.0162
Mycobacterium ulcerans hypothetical protein 0.0043 0.0212 0.011
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0144 0.1594 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0065 0.0514 0.0867
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0065 0.0514 0.0867
Mycobacterium ulcerans membrane transporter 0.0144 0.1594 0.3576
Leishmania major cytochrome p450-like protein 0.0065 0.0514 0.2425
Onchocerca volvulus 0.0144 0.1594 0.1451
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0065 0.0514 0.1059
Entamoeba histolytica sodium/proton antiporter, putative 0.0144 0.1594 1
Echinococcus granulosus mitochondrial sodium:hydrogen exchanger 9B2 0.0144 0.1594 0.1451
Trypanosoma cruzi cytochrome P450, putative 0.0101 0.1003 0.5858
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0065 0.0514 0.0867
Leishmania major hypothetical protein, conserved 0.0144 0.1594 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0065 0.0514 0.0867
Mycobacterium leprae probable conserved integral membrane transport protein 0.0144 0.1594 1
Loa Loa (eye worm) sodium-hydrogen exchanger NHE1 0.0144 0.1594 0.1594
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0065 0.0514 0.0867
Schistosoma mansoni hypothetical protein 0.0144 0.1594 0.1451
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0065 0.0514 0.0867
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0212 0.0135
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0144 0.1594 1
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0611 0.8019 0.7985
Loa Loa (eye worm) hypothetical protein 0.004 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0144 0.1594 0.4365
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0065 0.0514 0.1059
Loa Loa (eye worm) beta-lactamase 0.0043 0.0212 0.0212
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0212 0.0135
Schistosoma mansoni Slc9a7 protein 0.0144 0.1594 0.1451
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0212 0.011
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.0786 0.0629
Echinococcus granulosus sodium:hydrogen exchanger 7 0.0144 0.1594 0.1451
Onchocerca volvulus 0.0144 0.1594 0.1451
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0065 0.0514 0.0867
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0617 0.1126
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0065 0.0514 0.0867
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Onchocerca volvulus 0.0043 0.0212 0.0045
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0065 0.0514 0.0867
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0212 0.0135
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0065 0.0514 0.1059
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0212 0.011
Echinococcus multilocularis sodium:hydrogen exchanger 7 0.0144 0.1594 0.1551
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0212 0.0045
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0065 0.0514 0.2425
Brugia malayi beta-lactamase 0.0043 0.0212 0.0045
Plasmodium falciparum sodium/hydrogen exchanger, Na+, H+ antiporter 0.0144 0.1594 1
Mycobacterium leprae putative cytochrome p450 0.0065 0.0514 0.2425
Wolbachia endosymbiont of Brugia malayi Kef-type K+ transport system, membrane component 0.0144 0.1594 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0302 0.3767 0.3767
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0212 0.0308
Loa Loa (eye worm) glutaminase 2 0.033 0.4156 0.4156
Toxoplasma gondii ABC1 family protein 0.0043 0.0212 0.0308
Brugia malayi Cytochrome P450 family protein 0.0101 0.1003 0.085
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0212 0.0308
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0065 0.0514 0.1059
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0212 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0065 0.0514 0.1059
Schistosoma mansoni hypothetical protein 0.0144 0.1594 0.1451
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0212
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0144 0.1594 0.1451
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0065 0.0514 0.0867
Loa Loa (eye worm) pyruvate kinase 0.004 0.0168 0.0168
Plasmodium vivax sodium/hydrogen exchanger 1, putative 0.0144 0.1594 1
Brugia malayi Cytochrome P450 family protein 0.0101 0.1003 0.085
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0212 0.0308
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0212 0.0045
Mycobacterium ulcerans glutaminase 0.033 0.4156 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0212 0.0135
Schistosoma mansoni hypothetical protein 0.0065 0.0514 0.0352
Mycobacterium leprae Probable lipase LipE 0.0043 0.0212 0.0308
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0065 0.0514 0.2425
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0065 0.0514 0.0867
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0065 0.0514 0.1059
Brugia malayi Sodium/hydrogen exchanger 8 0.0144 0.1594 0.1451
Mycobacterium ulcerans beta-lactamase 0.0043 0.0212 0.011
Leishmania major Na/H antiporter-like protein 0.0144 0.1594 1
Trypanosoma cruzi cytochrome P450, putative 0.0101 0.1003 0.5858
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0065 0.0514 0.0867
Loa Loa (eye worm) cytochrome P450 0.0065 0.0514 0.0514
Brugia malayi Cytochrome P450 family protein 0.0065 0.0514 0.0352
Schistosoma mansoni sodium/hydrogen exchanger 3 (nhe3) 0.0144 0.1594 0.1451
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0065 0.0514 0.0867
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0065 0.0514 0.0867
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.1003 0.1003
Toxoplasma gondii cytochrome p450 superfamily protein 0.0065 0.0514 0.2425
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0065 0.0514 0.414
Mycobacterium ulcerans potassium/proton antiporter 0.0144 0.1594 0.3576
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0065 0.0514 0.0867
Toxoplasma gondii Na+/H+ exchanger NHE1 0.0144 0.1594 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0065 0.0514 0.0867
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0078 0.0688 0.0688
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0078 0.0688 0.064
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0144 0.1594 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0065 0.0514 0.1059
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0065 0.0514 0.1059
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0212 0.0308
Trichomonas vaginalis glutaminase, putative 0.033 0.4156 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0546 0.0546
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0065 0.0514 0.1059
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0065 0.0514 0.1059
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0144 0.1594 1
Trichomonas vaginalis esterase, putative 0.0043 0.0212 0.011
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0212 0.0212
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0212 0.0045
Mycobacterium ulcerans ion antiporter, NhaP 0.0144 0.1594 0.3576

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 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
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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