Detailed information for compound 1292403

Basic information

Technical information
  • TDR Targets ID: 1292403
  • Name: N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropan ehydrazide
  • MW: 332.781 | Formula: C17H17ClN2O3
  • H donors: 2 H acceptors: 2 LogP: 3.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1ccccc1)NNC(=O)COc1ccccc1Cl
  • InChi: 1S/C17H17ClN2O3/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
  • InChiKey: PKFCHNZMONXZQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[2-(2-chlorophenoxy)acetyl]-3-phenyl-propanehydrazide
  • N'-[2-(2-chlorophenoxy)-1-oxoethyl]-3-phenylpropanehydrazide
  • N'-[2-(2-chlorophenoxy)acetyl]-3-phenyl-propionohydrazide
  • N'-[2-(2-chlorophenoxy)ethanoyl]-3-phenyl-propanehydrazide
  • ZINC04996290
  • 3-Phenyl-propionic acid N'-[2-(2-chloro-phenoxy)-acetyl]-hydrazide
  • BAS 02222298

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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) hypothetical protein 0.0309 0.2603 0.2603
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0688 0.1568
Brugia malayi hypothetical protein 0.0338 0.2869 0.2869
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0326 0.2753 0.5864
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Schistosoma mansoni hypothetical protein 0.0098 0.0659 0.1405
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0072 0.0072
Echinococcus multilocularis GPCR, family 2 0.0098 0.0659 0.1504
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0101 0.0688 0.1568
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0503 0.4386 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0503 0.4386 1
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.0487 0.7089
Giardia lamblia Kinase, PLK 0.0503 0.4386 1
Schistosoma mansoni glutaminase 0.0537 0.4695 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0503 0.4386 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0036 0.0086 0.0196
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0487 0.7089
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0326 0.2753 0.5864
Brugia malayi RNA binding protein 0.0272 0.2259 0.2259
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0487 0.1112
Trichomonas vaginalis CAMK family protein kinase 0.0249 0.205 0.4366
Echinococcus granulosus citrate lyase subunit beta protein 0.005 0.0216 0.0493
Schistosoma mansoni serine/threonine protein kinase 0.0503 0.4386 0.9341
Brugia malayi latrophilin 2 splice variant baaae 0.0211 0.1704 0.1704
Brugia malayi MH1 domain containing protein 0.0042 0.0146 0.0146
Loa Loa (eye worm) nuclear factor I 0.0042 0.0146 0.0146
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Echinococcus multilocularis smad 0.0076 0.0457 0.1043
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1367 0.3003
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0503 0.4386 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0503 0.4386 1
Schistosoma mansoni smad1 5 8 and 0.0076 0.0457 0.0974
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0688 0.1568
Loa Loa (eye worm) hypothetical protein 0.0175 0.1367 0.1367
Echinococcus granulosus geminin 0.0205 0.1641 0.3742
Loa Loa (eye worm) hypothetical protein 0.0098 0.0659 0.0659
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0457 0.0457
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0309 0.2603 0.2603
Echinococcus multilocularis mothers against decapentaplegic 5 0.0076 0.0457 0.1043
Schistosoma mansoni Smad4 0.0034 0.0072 0.0152
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2259 0.4811
Loa Loa (eye worm) hypothetical protein 0.018 0.1418 0.1418
Loa Loa (eye worm) RNA binding protein 0.0272 0.2259 0.2259
Loa Loa (eye worm) glutaminase 2 0.0537 0.4695 0.4695
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0101 0.0688 1
Echinococcus granulosus GPCR family 2 0.0098 0.0659 0.1504
Echinococcus granulosus TGF beta signal transducer SmadC 0.0076 0.0457 0.1043
Loa Loa (eye worm) glutaminase 0.0537 0.4695 0.4695
Trypanosoma cruzi polo-like protein kinase, putative 0.0503 0.4386 1
Schistosoma mansoni smad 0.0076 0.0457 0.0974
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0216 0.0493
Schistosoma mansoni hypothetical protein 0.0338 0.2869 0.6112
Brugia malayi Calcitonin receptor-like protein seb-1 0.0309 0.2603 0.2603
Brugia malayi MH1 domain containing protein 0.0076 0.0457 0.0457
Loa Loa (eye worm) TAR-binding protein 0.0272 0.2259 0.2259
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0688 0.1568
Echinococcus granulosus mothers against decapentaplegic 2 0.0034 0.0072 0.0163
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0338 0.2869 0.6543
Brugia malayi Latrophilin receptor protein 2 0.0098 0.0659 0.0659
Brugia malayi serine/threonine-protein kinase plk-2 0.0503 0.4386 0.4386
Schistosoma mansoni smad 0.0034 0.0072 0.0152
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0098 0.0659 0.1504
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0101 0.0688 0.1568
Echinococcus multilocularis Smad4 0.0076 0.0457 0.1043
Brugia malayi Pip kinase protein 2 0.0326 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0042 0.0146 0.0146
Brugia malayi MH2 domain containing protein 0.0076 0.0457 0.0457
Echinococcus granulosus mothers against decapentaplegic 5 0.0076 0.0457 0.1043
Trypanosoma brucei hypothetical protein, conserved 0.0431 0.3725 0.8494
Brugia malayi glutaminase DH11.1 0.0537 0.4695 0.4695
Echinococcus granulosus tar DNA binding protein 0.0272 0.2259 0.5151
Brugia malayi MH2 domain containing protein 0.0034 0.0072 0.0072
Trichomonas vaginalis CAMK family protein kinase 0.0249 0.205 0.4366
Brugia malayi hypothetical protein 0.0467 0.4053 0.4053
Entamoeba histolytica hypothetical protein 0.0338 0.2869 0.6543
Trichomonas vaginalis glutaminase, putative 0.0537 0.4695 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.2753 0.2753
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0101 0.0688 0.1568
Echinococcus granulosus mothers against decapentaplegic 6 0.0034 0.0072 0.0163
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0309 0.2603 0.2603
Trypanosoma cruzi polo-like protein kinase, putative 0.0503 0.4386 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0034 0.0072 0.0163
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Schistosoma mansoni hypothetical protein 0.0036 0.0086 0.0183
Echinococcus multilocularis tar DNA binding protein 0.0272 0.2259 0.5151
Schistosoma mansoni hypothetical protein 0.0098 0.0659 0.1405
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0101 0.0688 0.1465
Brugia malayi Muscleblind-like protein 0.018 0.1418 0.1418
Leishmania major hypothetical protein, conserved 0.0079 0.0487 0.1112
Loa Loa (eye worm) hypothetical protein 0.0034 0.0072 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0431 0.3725 0.8494
Trichomonas vaginalis Citrate lyase beta chain, putative 0.005 0.0216 0.0461
Schistosoma mansoni smad1 5 8 and 0.0076 0.0457 0.0974
Brugia malayi MH1 domain containing protein 0.0042 0.0146 0.0146
Brugia malayi TAR-binding protein 0.0272 0.2259 0.2259
Schistosoma mansoni kinase 0.0256 0.2111 0.4496
Toxoplasma gondii isocitrate dehydrogenase 0.0101 0.0688 1
Onchocerca volvulus 0.0326 0.2753 0.6215
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2259 0.4811
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0216 0.0493
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Echinococcus granulosus Smad4 0.0076 0.0457 0.1043
Loa Loa (eye worm) hypothetical protein 0.0079 0.0487 0.0487
Schistosoma mansoni hypothetical protein 0.0205 0.1641 0.3495
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0326 0.2753 0.6277
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0457 0.0457
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0101 0.0688 0.1568
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0338 0.2869 0.6543
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.0487 0.1112
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2259 0.4811
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0101 0.0688 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0034 0.0072 0.0072
Echinococcus granulosus smad 0.0076 0.0457 0.1043
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2259 0.4811
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0076 0.0457 0.0974
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0101 0.0688 0.1568
Entamoeba histolytica hypothetical protein 0.0338 0.2869 0.6543
Schistosoma mansoni smad1 5 8 and 0.0076 0.0457 0.0974
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0101 0.0688 1
Trypanosoma brucei polo-like protein kinase 0.0503 0.4386 1
Schistosoma mansoni hypothetical protein 0.0211 0.1704 0.3628
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Echinococcus granulosus muscleblind protein 0.018 0.1418 0.3234
Brugia malayi isocitrate dehydrogenase 0.0101 0.0688 0.0688
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0098 0.0659 0.0659
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2259 0.4811
Loa Loa (eye worm) hypothetical protein 0.018 0.1418 0.1418
Brugia malayi hypothetical protein 0.0079 0.0487 0.0487
Brugia malayi Smad1 0.0076 0.0457 0.0457
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0272 0.2259 0.2259
Brugia malayi RNA recognition motif domain containing protein 0.0272 0.2259 0.2259
Brugia malayi N-terminal motif family protein 0.0175 0.1367 0.1367
Brugia malayi Isocitrate dehydrogenase 0.0101 0.0688 0.0688
Schistosoma mansoni hypothetical protein 0.0205 0.1641 0.3495
Brugia malayi hypothetical protein 0.0051 0.023 0.023
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0487 0.7089
Entamoeba histolytica hypothetical protein 0.0338 0.2869 0.6543
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0098 0.0659 0.1504
Leishmania major hypothetical protein, conserved 0.0431 0.3725 0.8494
Echinococcus multilocularis mothers against decapentaplegic 6 0.0034 0.0072 0.0163
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0036 0.0086 0.0196
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0076 0.0457 0.1043
Loa Loa (eye worm) pip kinase 2 0.0326 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0211 0.1704 0.1704
Echinococcus multilocularis isocitrate dehydrogenase 0.0101 0.0688 0.1568
Loa Loa (eye worm) Smad1 0.0076 0.0457 0.0457
Entamoeba histolytica hypothetical protein 0.0338 0.2869 0.6543
Toxoplasma gondii isocitrate dehydrogenase 0.0101 0.0688 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0098 0.0659 0.0659
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0688 0.1568
Echinococcus multilocularis citrate lyase subunit beta protein 0.005 0.0216 0.0493
Schistosoma mansoni hypothetical protein 0.0098 0.0659 0.1405
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0098 0.0659 0.1504
Mycobacterium ulcerans glutaminase 0.0537 0.4695 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0503 0.4386 0.4386
Echinococcus multilocularis geminin 0.0205 0.1641 0.3742
Loa Loa (eye worm) hypothetical protein 0.0467 0.4053 0.4053
Schistosoma mansoni transcription factor LCR-F1 0.0338 0.2869 0.6112
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.005 0.0216 0.0493
Schistosoma mansoni Smad4 0.0034 0.0072 0.0152
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0098 0.0659 0.1504
Schistosoma mansoni hypothetical protein 0.0098 0.0659 0.1405
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0487 0.1112
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0326 0.2753 0.6277
Schistosoma mansoni Smad4 0.0076 0.0457 0.0974
Echinococcus multilocularis muscleblind protein 0.018 0.1418 0.3234
Brugia malayi MH2 domain containing protein 0.0076 0.0457 0.0457
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.0487 0.7089
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0101 0.0688 0.1568
Trypanosoma cruzi hypothetical protein, conserved 0.0431 0.3725 0.8494
Brugia malayi MH1 domain containing protein 0.0076 0.0457 0.0457
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0072 0.0072
Echinococcus multilocularis muscleblind protein 1 0.018 0.1418 0.3234
Trichomonas vaginalis CAMK family protein kinase 0.0503 0.4386 0.9341
Onchocerca volvulus 0.0467 0.4053 0.9228
Loa Loa (eye worm) isocitrate dehydrogenase 0.0101 0.0688 0.0688

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0033 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 (binding) 0.7079 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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