Detailed information for compound 1303230

Basic information

Technical information
  • TDR Targets ID: 1303230
  • Name: 2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)q uinoline-4-carboxamide
  • MW: 379.427 | Formula: C22H22FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NCCN1CCOCC1
  • InChi: 1S/C22H22FN3O2/c23-17-7-5-16(6-8-17)21-15-19(18-3-1-2-4-20(18)25-21)22(27)24-9-10-26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,24,27)
  • InChiKey: KVKMSOGAETTWON-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-fluorophenyl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
  • 2-(4-fluorophenyl)-N-(2-morpholinoethyl)-4-quinolinecarboxamide
  • 2-(4-fluorophenyl)-N-(2-morpholinoethyl)cinchoninamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0261 0.2643 0.2643
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0019 0.0528
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0352 0.1517
Echinococcus granulosus pyruvate kinase 0.0033 0.0176 0.0449
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0176 0.0158
Leishmania major pyruvate kinase 0.0033 0.0176 0.4999
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.019 0.0485
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0344
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0123 0.0315
Schistosoma mansoni pyruvate kinase 0.0017 0.0003 0.0007
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0176 0.0176
Brugia malayi Pre-SET motif family protein 0.0203 0.2014 0.2014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.2379 0.607
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0176 0.0759
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0352 0.1517
Entamoeba histolytica hypothetical protein 0.0049 0.0352 1
Brugia malayi Latrophilin receptor protein 2 0.0082 0.0714 0.0714
Entamoeba histolytica hypothetical protein 0.0049 0.0352 1
Brugia malayi Thioredoxin reductase 0.0048 0.0339 0.0339
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0176 0.0158
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0176 0.0158
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0236 0.2379 0.2379
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1003 0.8837
Brugia malayi hypothetical protein 0.0026 0.0097 0.0097
Plasmodium falciparum phd finger protein, putative 0.0034 0.019 0.5403
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0261 0.2643 0.263
Onchocerca volvulus Alhambra homolog 0.0034 0.019 0.0252
Chlamydia trachomatis pyruvate kinase 0.0033 0.0176 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0176 0.0158
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.019 0.0172
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0176 0.4999
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0352 1
Onchocerca volvulus 0.023 0.2317 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0135 0.0135
Schistosoma mansoni spingomyelin synthetase-related 0.0049 0.0352 0.0897
Leishmania major hypothetical protein, conserved 0.0026 0.0097 0.2751
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0049 0.0352 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2379 0.607
Loa Loa (eye worm) latrophilin receptor protein 2 0.0082 0.0714 0.0696
Brugia malayi glutathione reductase 0.0048 0.0339 0.0339
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0019 1
Entamoeba histolytica hypothetical membrane-spanning protein 0.0049 0.0352 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0344
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0019 0.0047
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.0334
Leishmania major pyruvate kinase 0.0033 0.0176 0.4999
Schistosoma mansoni ap endonuclease 0.0018 0.0019 0.0047
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1003 0.8837
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0097 0.2751
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0339 0.2985
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.0334
Schistosoma mansoni hypothetical protein 0.0378 0.3919 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0344
Loa Loa (eye worm) hypothetical protein 0.0029 0.0135 0.0117
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0352 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0653 0.0635
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0097 0.2751
Plasmodium falciparum glutathione reductase 0.0048 0.0339 0.9636
Loa Loa (eye worm) hypothetical protein 0.0153 0.1477 0.1461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.2379 0.607
Brugia malayi Sphingomyelin synthase-related 1 0.0049 0.0352 0.0352
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0097 0.2751
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.019 0.0485
Schistosoma mansoni hypothetical protein 0.0082 0.0714 0.1821
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0176 0.4999
Entamoeba histolytica hypothetical protein 0.0049 0.0352 1
Onchocerca volvulus 0.0153 0.1477 0.6151
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0268 0.025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0454 0.0436
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0019 0.1056
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0097 0.2751
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1135 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0097 0.2751
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0352 0.1517
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0049 0.0352 0.0352
Plasmodium vivax sphingomyelin synthase 2, putative 0.0049 0.0352 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0135 0.0344
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0019 0.0528
Schistosoma mansoni hypothetical protein 0.0034 0.019 0.0485
Trypanosoma brucei inositol phosphorylceramide synthase 0.0049 0.0352 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0019 0.0047
Loa Loa (eye worm) hypothetical protein 0.0066 0.0532 0.0514
Echinococcus granulosus GPCR family 2 0.0082 0.0714 0.1821
Trichomonas vaginalis hypothetical protein 0.0049 0.0352 0.1517
Echinococcus multilocularis GPCR, family 2 0.0082 0.0714 0.1821
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0268 0.0683
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.019 0.5403
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0782 0.1996
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0135 0.0344
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0339 0.0865
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.019 0.0485
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0019 0.008
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1135 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0019 0.008
Giardia lamblia PHD finger protein 15 0.0034 0.019 1
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0003 0.0079
Plasmodium vivax sphingomyelin synthase 1, putative 0.0049 0.0352 1
Brugia malayi Fli-1 protein 0.0233 0.2347 0.2347
Brugia malayi Ets-domain containing protein 0.0077 0.0653 0.0653
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0268 0.0683
Leishmania major trypanothione reductase 0.0048 0.0339 0.9636
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0049 0.0352 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1003 0.8837
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0176 0.0187
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.0334
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2014 0.1999
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0176 0.0187
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0176 1
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0352 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2379 0.607
Trichomonas vaginalis set domain proteins, putative 0.023 0.2317 1
Brugia malayi jmjC domain containing protein 0.0041 0.0268 0.0268
Plasmodium falciparum pyruvate kinase 0.0033 0.0176 0.4999
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1003 0.8837
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0176 0.4999
Schistosoma mansoni hypothetical protein 0.0082 0.0714 0.1821
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0176 0.0759
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0019 0.0528
Echinococcus multilocularis pyruvate kinase 0.0033 0.0176 0.0449
Brugia malayi PHD-finger family protein 0.0034 0.019 0.019
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0352 1
Schistosoma mansoni hypothetical protein 0.0082 0.0714 0.1821
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.2379 0.607
Echinococcus granulosus geminin 0.0378 0.3919 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0584 0.0566
Loa Loa (eye worm) hypothetical protein 0.0082 0.0714 0.0696
Entamoeba histolytica hypothetical protein 0.0049 0.0352 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0082 0.0714 0.1821
Echinococcus granulosus pyruvate kinase 0.0017 0.0003 0.0007
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0653 0.1665
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0097 0.2751
Brugia malayi hypothetical protein 0.0153 0.1477 0.1477
Toxoplasma gondii exonuclease III APE 0.0018 0.0019 0.0528
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0339 0.0865
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0082 0.0714 0.1821
Plasmodium vivax glutathione reductase, putative 0.0048 0.0339 0.9636
Brugia malayi latrophilin 2 splice variant baaae 0.0178 0.175 0.175
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0335 0.0854
Plasmodium vivax SET domain protein, putative 0.0029 0.0135 0.3839
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0653 0.1665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2379 0.607
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0261 0.2643 0.2643
Loa Loa (eye worm) hypothetical protein 0.0261 0.2643 0.263
Loa Loa (eye worm) hypothetical protein 0.0023 0.0068 0.005
Echinococcus multilocularis geminin 0.0378 0.3919 1
Schistosoma mansoni gabp alpha 0.0077 0.0653 0.1665
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0268 0.0683
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0339 0.9636
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0082 0.0714 0.1821
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0003 0.0079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0236 0.2379 0.2365
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0135 0.0344
Echinococcus multilocularis pyruvate kinase 0.0017 0.0003 0.0007
Echinococcus granulosus pyruvate kinase 0.0017 0.0003 0.0007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0082 0.0714 0.0714
Schistosoma mansoni hypothetical protein 0.0178 0.175 0.4465
Echinococcus granulosus pyruvate kinase 0.0017 0.0003 0.0007
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.1031 0.2631
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0352 1
Giardia lamblia Pyruvate kinase 0.0033 0.0176 0.9253
Echinococcus multilocularis pyruvate kinase 0.0033 0.0176 0.0449
Schistosoma mansoni pyruvate kinase 0.0033 0.0176 0.0449
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1003 0.8837
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0082 0.0714 0.1821
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0049 0.0352 0.0352
Schistosoma mansoni hypothetical protein 0.0082 0.0714 0.1821
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0019 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0176 0.4999
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0019 0.0977
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0352 0.1517
Brugia malayi jmjC domain containing protein 0.0112 0.1031 0.1031
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0176 0.4999
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1003 0.8624
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1135 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.2379 0.607
Echinococcus multilocularis pyruvate kinase 0.0017 0.0003 0.0007
Schistosoma mansoni ap endonuclease 0.0018 0.0019 0.0047
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0049 0.0352 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0003 0.0007
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0352 0.0352
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0019 0.0164
Loa Loa (eye worm) hypothetical protein 0.0178 0.175 0.1735
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0176 0.0176
Echinococcus multilocularis peregrin 0.0034 0.019 0.0485
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.0334
Brugia malayi Bromodomain containing protein 0.0034 0.019 0.019
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0176 0.0187
Giardia lamblia Pyruvate kinase 0.0017 0.0003 0.0146
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.0334
Brugia malayi Ets-domain containing protein 0.0077 0.0653 0.0653
Echinococcus granulosus pyruvate kinase 0.0033 0.0176 0.0449
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0019 0.0528
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0003 0.0079
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0339 0.9636
Echinococcus granulosus peregrin 0.0034 0.019 0.0485
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0135 0.3839
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.1031 0.2631
Loa Loa (eye worm) glutathione reductase 0.0048 0.0339 0.0321
Schistosoma mansoni pyruvate kinase 0.0033 0.0176 0.0449
Loa Loa (eye worm) hypothetical protein 0.094 1 1
Plasmodium vivax hypothetical protein, conserved 0.0034 0.019 0.5403
Loa Loa (eye worm) fli-1 protein 0.0233 0.2347 0.2333
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0068 0.005
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0352 0.1517
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0049 0.0352 1
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0049 0.0352 0.0897
Toxoplasma gondii thioredoxin reductase 0.0048 0.0339 0.9636
Loa Loa (eye worm) hypothetical protein 0.0034 0.019 0.0172
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.019 0.5403
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0335 0.0854
Trypanosoma brucei trypanothione reductase 0.0048 0.0339 0.9636
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1135 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0339 0.0321
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0176 0.4999
Echinococcus multilocularis pyruvate kinase 0.0026 0.0101 0.0257
Plasmodium falciparum thioredoxin reductase 0.0048 0.0339 0.9636
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0019 0.0528
Entamoeba histolytica hypothetical protein 0.0049 0.0352 1
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0068 0.1491
Loa Loa (eye worm) hypothetical protein 0.0026 0.0097 0.0078
Toxoplasma gondii hypothetical protein 0.0049 0.0352 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0176 0.1549
Mycobacterium tuberculosis Probable reductase 0.0109 0.1003 0.8837
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0019 0.0528
Schistosoma mansoni hypothetical protein 0.0378 0.3919 1
Schistosoma mansoni ets-related 0.0233 0.2347 0.5989
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0268 0.0683
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0097 0.2751
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0019 0.0019
Echinococcus granulosus sphingomyelin synthase protein 1 0.0049 0.0352 0.0897
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0135 0.0344
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0352 0.0352

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 100 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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