Detailed information for compound 1363028

Basic information

Technical information
  • TDR Targets ID: 1363028
  • Name: N-(4-acetylphenyl)-1-(4-chlorobenzoyl)piperid ine-3-carboxamide
  • MW: 384.856 | Formula: C21H21ClN2O3
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)C(=O)c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C21H21ClN2O3/c1-14(25)15-6-10-19(11-7-15)23-20(26)17-3-2-12-24(13-17)21(27)16-4-8-18(22)9-5-16/h4-11,17H,2-3,12-13H2,1H3,(H,23,26)
  • InChiKey: DDBJNVJWTTVGPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-acetylphenyl)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide
  • N-(4-acetylphenyl)-1-(4-chlorobenzoyl)nipecotamide
  • 1-(4-chlorophenyl)carbonyl-N-(4-ethanoylphenyl)piperidine-3-carboxamide
  • MLS000770576
  • SMR000375846

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.1356 0.1525
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0065 0.0073
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0063 0.0024
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0214 0.5477 0.6159
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0037 0.0769 0.0866
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0149 0.0126
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0071 0.008
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0065 0.0041
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0245 0.6286 0.8958
Brugia malayi Importin beta-1 subunit 0.0031 0.0608 0.0684
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0037 0.0769 0.0866
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0071 0.008
Plasmodium falciparum importin beta, putative 0.0031 0.0608 0.2183
Plasmodium vivax glutathione reductase, putative 0.0107 0.2632 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.1356 0.1525
Onchocerca volvulus 0.0011 0.0063 0.0071
Loa Loa (eye worm) hypothetical protein 0.0059 0.1356 0.1525
Brugia malayi ecdysteroid receptor 0.0011 0.0071 0.008
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0279 0.0279
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.039 0.1339
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0325 0.0325
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0279
Entamoeba histolytica Ran family GTPase 0.0023 0.039 0.0638
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2601 0.3053
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.039 0.0638
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.001 0.0043 0.0043
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0071 0.0071
Echinococcus granulosus importin subunit beta 1 0.0031 0.0608 0.0608
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.039 0.1339
Schistosoma mansoni hypothetical protein 0.0384 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0037 0.0769 0.0769
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.039 0.0438
Brugia malayi MH2 domain containing protein 0.0018 0.0271 0.0305
Entamoeba histolytica hypothetical protein 0.0082 0.195 0.351
Mycobacterium tuberculosis Probable reductase 0.0245 0.6286 0.8958
Loa Loa (eye worm) glutaminase 0.0325 0.8421 0.9468
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0452 0.0752
Loa Loa (eye worm) MH2 domain-containing protein 0.0271 0.6981 0.7849
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0071 0.008
Schistosoma mansoni hypothetical protein 0.0082 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0343 0.8894 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0138 0.0138
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0577 0.2064
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0279
Schistosoma mansoni kinase 0.0109 0.2676 0.2676
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0271 0.0305
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0071 0.0071
Schistosoma mansoni glutaminase 0.0325 0.8421 0.8421
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0279
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.001 0.0043 0.0048
Echinococcus granulosus nibrin 0.0011 0.0063 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0071 0.008
Trichomonas vaginalis mercuric reductase, putative 0.0037 0.0769 0.0866
Treponema pallidum NADH oxidase 0.0037 0.0769 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0071 0.0071
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.039 0.0438
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.047 0.0509
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0071 0.0071
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.001 0.0043 0.0043
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0071 0.0071
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0271 0.0271
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0272 0.7012 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0037 0.0769 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Schistosoma mansoni importin beta-1 0.0031 0.0608 0.0608
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0063 0.0063
Chlamydia trachomatis DNA ligase 0.0011 0.0063 0.0279
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Schistosoma mansoni smad 0.0018 0.0271 0.0271
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0577 0.2064
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0071 0.0071
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0071 0.008
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0071 0.0071
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Echinococcus multilocularis GPCR, family 2 0.0019 0.0279 0.0279
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0071 0.0071
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0608 0.2183
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0272 0.7012 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0071 0.008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0071 0.008
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0071 0.0071
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0037 0.0769 0.0769
Schistosoma mansoni hypothetical protein 0.0384 1 1
Echinococcus granulosus smad 0.0018 0.0271 0.0271
Brugia malayi nuclear hormone receptor 0.0011 0.0071 0.008
Schistosoma mansoni glutamate synthase 0.001 0.0043 0.0043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0279 0.0279
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0063 0.0037
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0279 0.0279
Mycobacterium tuberculosis Probable dehydrogenase 0.0245 0.6286 0.8958
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.001 0.0043 0.0043
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0013 0.0138 0.0138
Trypanosoma cruzi FHA domain containing protein, putative 0.0011 0.0063 0.0037
Brugia malayi serine/threonine-protein kinase plk-2 0.0214 0.5477 0.6159
Leishmania major GTP-binding protein, putative 0.0023 0.039 0.0638
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0037 0.0769 0.2803
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.039 0.0638
Giardia lamblia Replication factor C, subunit 1 0.0011 0.0063 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0063 0.0063
Schistosoma mansoni glutamate synthase 0.001 0.0043 0.0043
Plasmodium falciparum thioredoxin reductase 0.0107 0.2632 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.001 0.0043 0.0043
Entamoeba histolytica hypothetical protein 0.0082 0.195 0.351
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0608 0.104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0071 0.0071
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0245 0.6286 0.8958
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0063 0.0029
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0063 0.0071
Schistosoma mansoni ran 0.0023 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0065 0.0065
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Schistosoma mansoni smad1 5 8 and 0.0018 0.0271 0.0271
Echinococcus multilocularis thioredoxin glutathione reductase 0.0107 0.2632 0.2632
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0149 0.0195
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0071 0.0071
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0452 0.0488
Loa Loa (eye worm) hypothetical protein 0.0041 0.0858 0.0965
Brugia malayi DKFZp564C0469 protein 0.0011 0.0063 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0071 0.008
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0279 0.0314
Brugia malayi hypothetical protein 0.0082 0.195 0.2193
Echinococcus granulosus snurportin 1 0.0332 0.8616 0.8616
Plasmodium vivax thioredoxin reductase, putative 0.0107 0.2632 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.001 0.0043 0.0043
Schistosoma mansoni smad1 5 8 and 0.0018 0.0271 0.0271
Brugia malayi MH2 domain containing protein 0.0271 0.6981 0.7849
Schistosoma mansoni hypothetical protein 0.0332 0.8616 0.8616
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.001 0.0043 0.0043
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.0063 0.0078
Brugia malayi glutathione reductase 0.0107 0.2632 0.296
Schistosoma mansoni serine/threonine protein kinase 0.0214 0.5477 0.5477
Loa Loa (eye worm) RecQ helicase 0.0026 0.047 0.0528
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.039 0.039
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0065 0.0065
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0071 0.008
Brugia malayi MH1 domain containing protein 0.0018 0.0271 0.0305
Giardia lamblia NADH oxidase lateral transfer candidate 0.0037 0.0769 0.1336
Loa Loa (eye worm) glutaminase 2 0.0325 0.8421 0.9468
Echinococcus granulosus GPCR family 2 0.0019 0.0279 0.0279
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0577 0.0983
Schistosoma mansoni hypothetical protein 0.001 0.0043 0.0043
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0027 0.0507 0.057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0071 0.008
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0048
Toxoplasma gondii NADPH-glutathione reductase 0.0037 0.0769 0.2803
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.001 0.0043 0.0043
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.039 0.0638
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0247 0.0786
Loa Loa (eye worm) hypothetical protein 0.003 0.0577 0.0649
Loa Loa (eye worm) nuclear factor I 0.001 0.0052 0.0059
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.195 0.195
Trichomonas vaginalis ran, putative 0.0023 0.039 0.0414
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0071 0.0071
Trypanosoma cruzi trypanothione reductase, putative 0.0107 0.2632 0.4765
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.039 0.0638
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.001 0.0043 0.0048
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0386 0.1325
Echinococcus multilocularis nibrin 0.0011 0.0063 0.0063
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0071 0.008
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0037 0.0769 1
Schistosoma mansoni coup transcription factor 0.0011 0.0071 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0149 0.0195
Leishmania major hypothetical protein, conserved 0.003 0.0577 0.0983
Onchocerca volvulus Serine\/threonine kinase homolog 0.0214 0.5477 0.6159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0071 0.008
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.001 0.0043 0.0043
Loa Loa (eye worm) Smad1 0.0018 0.0271 0.0305
Brugia malayi topoisomerase 0.0011 0.0063 0.0071
Echinococcus multilocularis bloom syndrome protein 0.0026 0.047 0.047
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0071 0.008
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0037 0.0769 0.1336
Schistosoma mansoni hypothetical protein 0.0041 0.0858 0.0858
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0037 0.0769 0.2803
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0059
Trypanosoma cruzi polo-like protein kinase, putative 0.0214 0.5477 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0107 0.2632 0.3716
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0071 0.0071
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0858 0.0965
Brugia malayi MH1 domain containing protein 0.0018 0.0271 0.0305
Onchocerca volvulus 0.0343 0.8894 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Treponema pallidum DNA ligase (lig) 0.0011 0.0063 0.0279
Plasmodium falciparum thioredoxin reductase 0.0037 0.0769 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.001 0.0043 0.0048
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.013 0.3249 0.3653
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0071 0.0071
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.001 0.0043 0.0043
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0065 0.0085
Echinococcus granulosus glutamate synthase 0.001 0.0043 0.0043
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0037 0.0769 0.1336
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0245 0.6286 0.8958
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0071 0.0071
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0071 0.0071
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0063 0.0024
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.001 0.0043 0.0043
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0241 0.0765
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0272 0.7012 1
Brugia malayi hypothetical protein 0.0343 0.8894 1
Brugia malayi glutaminase DH11.1 0.0325 0.8421 0.9468
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0214 0.5477 0.5477
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0452 0.0488
Echinococcus granulosus Smad4 0.0018 0.0271 0.0271
Brugia malayi Smad1 0.0018 0.0271 0.0305
Loa Loa (eye worm) hypothetical protein 0.0031 0.0608 0.0684
Brugia malayi hypothetical protein 0.003 0.0577 0.0649
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0063 0.0037
Loa Loa (eye worm) thioredoxin reductase 0.0107 0.2632 0.296
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0063 0.0063
Trichomonas vaginalis glutaminase, putative 0.0325 0.8421 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0.0063 0.0024
Schistosoma mansoni ran 0.0023 0.039 0.039
Trypanosoma cruzi polo-like protein kinase, putative 0.0214 0.5477 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.0452 0.0752
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0063 0.0037
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Brugia malayi RNA, U transporter 1 0.0089 0.2134 0.24
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0037 0.0769 0.1336
Loa Loa (eye worm) glutathione reductase 0.0107 0.2632 0.296
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0071 0.0071
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0071 0.0071
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0071 0.008
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0245 0.6286 0.8958
Echinococcus multilocularis smad 0.0018 0.0271 0.0271
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0037 0.0769 0.0865
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0063 0.0071
Brugia malayi nuclear receptor NHR-88 0.0011 0.0071 0.008
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0271 0.0271
Brugia malayi Thioredoxin reductase 0.0107 0.2632 0.296
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.047 0.0509
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.0063 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0024
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.039 0.039
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0071 0.0071
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0063 0.0037
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0071 0.008
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0065 0.0073
Giardia lamblia Kinase, PLK 0.0214 0.5477 1
Brugia malayi hypothetical protein 0.0019 0.0295 0.0332
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0071 0.0071
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0279 0.0314
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0073
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0071 0.0071
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0452 0.0488
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0279 0.0279
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Onchocerca volvulus 0.0011 0.0071 0.008
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0065 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0071 0.008
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0769 0.1336
Brugia malayi glutamate synthase 0.001 0.0043 0.0048
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0214 0.5477 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0071 0.008
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Schistosoma mansoni disulfide oxidoreductase 0.001 0.0043 0.0043
Schistosoma mansoni DNA helicase recq1 0.0011 0.0065 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0037 0.0769 0.0866
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0063 0.0279
Brugia malayi steroid hormone receptor 0.0011 0.0071 0.008
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.195 0.195
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0071 0.0071
Trichomonas vaginalis glutathione reductase, putative 0.0037 0.0769 0.0866
Entamoeba histolytica hypothetical protein 0.0011 0.0063 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0024
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0063 0.0024
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0271 0.0271
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0037 0.0769 0.1336
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0027 0.0507 0.057
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0071 0.0071
Schistosoma mansoni DNA ligase IV 0.0011 0.0063 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0071 0.008
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.001 0.0043 0.0048
Schistosoma mansoni Smad4 0.0018 0.0271 0.0271
Echinococcus granulosus thioredoxin glutathione reductase 0.0107 0.2632 0.2632
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0577 0.2064
Brugia malayi MH1 domain containing protein 0.001 0.0052 0.0059
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0065 0.0073
Plasmodium vivax importin-beta 2, putative 0.0031 0.0608 0.2183
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0063 0.0078
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0071
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0245 0.6286 0.8958
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0024
Schistosoma mansoni sulfide quinone reductase 0.001 0.0043 0.0043
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0271 0.0271
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.0063 0.0078
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0071 0.0071
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0063 0.0037
Echinococcus granulosus bloom syndrome protein 0.0026 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0071 0.008
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0271 0.0305
Mycobacterium ulcerans glutaminase 0.0325 0.8421 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0608 0.104
Loa Loa (eye worm) transcription factor SMAD2 0.0271 0.6981 0.7849
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0037 0.0769 0.1042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0071 0.008
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0037 0.0769 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0071 0.0071
Schistosoma mansoni DNA helicase recq5 0.0011 0.0065 0.0065
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0214 0.5477 0.5477
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.195 0.195
Schistosoma mansoni topbp1 0.0011 0.0063 0.0063
Schistosoma mansoni sulfide quinone reductase 0.001 0.0043 0.0043
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.001 0.0043 0.0043
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0037 0.0769 0.2803
Schistosoma mansoni smad1 5 8 and 0.0018 0.0271 0.0271
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0149 0.0195
Leishmania major trypanothione reductase 0.0107 0.2632 0.4765
Echinococcus multilocularis geminin 0.0384 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0214 0.5477 1
Loa Loa (eye worm) programmed cell death 8 0.001 0.0043 0.0048
Trypanosoma brucei trypanothione reductase 0.0107 0.2632 0.4765
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0279 0.0314
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0577 0.0983
Brugia malayi MH2 domain containing protein 0.0018 0.0271 0.0305
Schistosoma mansoni topbp1 0.0011 0.0063 0.0063
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0063 0.0024
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.1356 0.1525
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0071 0.008
Echinococcus multilocularis glutamate synthase 0.001 0.0043 0.0043
Mycobacterium tuberculosis Probable oxidoreductase 0.0272 0.7012 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0577 0.0983
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0071 0.0071
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0037 0.0769 0.1336
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0149 0.0195
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0037 0.0769 0.1336
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0271 0.0271
Brugia malayi MH1 domain containing protein 0.001 0.0052 0.0059
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0037 0.0769 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0071 0.008
Plasmodium falciparum glutathione reductase 0.0037 0.0769 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0037 0.0769 0.1336
Loa Loa (eye worm) hypothetical protein 0.0011 0.0071 0.008
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0608 0.0608
Brugia malayi hypothetical protein 0.0011 0.0063 0.0071
Entamoeba histolytica hypothetical protein 0.0082 0.195 0.351
Toxoplasma gondii thioredoxin reductase 0.0107 0.2632 1
Plasmodium falciparum glutathione reductase 0.0107 0.2632 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.039 0.1339
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0071 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0071 0.008
Echinococcus granulosus sulfide:quinone oxidoreductase 0.001 0.0043 0.0043
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0037 0.0769 0.0769
Entamoeba histolytica hypothetical protein 0.0082 0.195 0.351
Trypanosoma brucei polo-like protein kinase 0.0214 0.5477 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2601 0.3053
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0138 0.0138
Schistosoma mansoni glutamate synthase 0.001 0.0043 0.0043
Onchocerca volvulus 0.001 0.0043 0.0048
Echinococcus multilocularis snurportin 1 0.0332 0.8616 0.8616
Trichomonas vaginalis CAMK family protein kinase 0.0214 0.5477 0.6487
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0065 0.0085
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0071 0.008
Echinococcus multilocularis Smad4 0.0018 0.0271 0.0271
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0065 0.0065
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0037 0.0769 0.2803
Brugia malayi hypothetical protein 0.0011 0.0063 0.0071
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0332 0.8616 0.9688
Entamoeba histolytica hypothetical protein 0.0025 0.0452 0.0752
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.047 0.0528
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0063 0.0024
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0577 0.2064
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0071 0.008
Schistosoma mansoni hypothetical protein 0.0019 0.0279 0.0279
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0065 0.0085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0314
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0071 0.008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.92 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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