Detailed information for compound 1626791

Basic information

Technical information
  • TDR Targets ID: 1626791
  • Name: 3-methyl-N'-(3-oxo-3-phenylprop-1-enyl)benzoh ydrazide
  • MW: 280.321 | Formula: C17H16N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)NN/C=C/C(=O)c1ccccc1
  • InChi: 1S/C17H16N2O2/c1-13-6-5-9-15(12-13)17(21)19-18-11-10-16(20)14-7-3-2-4-8-14/h2-12,18H,1H3,(H,19,21)/b11-10+
  • InChiKey: NBAUFXHBMACIBE-ZHACJKMWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-N'-[(E)-3-oxo-3-phenylprop-1-enyl]benzohydrazide
  • 3-methyl-N'-(3-oxo-3-phenyl-prop-1-enyl)benzohydrazide
  • 3-methyl-N'-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzohydrazide
  • N'-(3-keto-3-phenyl-prop-1-enyl)-3-methyl-benzohydrazide
  • N'-[(E)-3-keto-3-phenyl-prop-1-enyl]-3-methyl-benzohydrazide
  • BAS 00341561
  • ZINC02893252
  • 3-Methyl-benzoic acid N'-(3-oxo-3-phenyl-propenyl)-hydrazide
  • MLS001209366
  • SMR000513562

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.2015 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.029 0.0767 0.0538
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0511 0.1953 0.1754
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.029 0.0767 0.0538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.2883 0.2707
Trichomonas vaginalis PIKK family atypical protein kinase 0.121 0.569 0.5584
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0685 0.2883 0.2805
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.096 0.4356 0.4216
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.2015 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.2883 0.2707
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.029 0.0767 0.0538
Schistosoma mansoni hypothetical protein 0.0293 0.0781 0.0681
Loa Loa (eye worm) phosphatidylinositol 3 0.0935 0.4219 0.4219
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0393 0.1317 0.1317
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0845 0.3739 0.3584
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.029 0.0767 0.0538
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0192 0.0242 0.0135
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0459 0.1673 0.1467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.2883 0.2707
Trichomonas vaginalis PIKK family atypical protein kinase 0.1605 0.7809 0.7755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0551 0.2165 0.1971
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0685 0.2883 0.2707
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2015 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.2015 1 1
Loa Loa (eye worm) integrin beta-2 0.0341 0.1043 0.1043
Toxoplasma gondii target of rapamycin (TOR), putative 0.1502 0.7256 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0192 0.0242 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.5074 0.4952
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0393 0.1317 0.1102
Loa Loa (eye worm) hypothetical protein 0.044 0.1573 0.1573
Trichomonas vaginalis PIKK family atypical protein kinase 0.1605 0.7809 0.7755
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0393 0.1317 0.1317
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0436 0.1549 0.1863
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.029 0.0767 0.0538
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.044 0.1573 0.1364
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1607 0.7818 0.7764
Toxoplasma gondii FATC domain-containing protein 0.0393 0.1317 0.1533
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0393 0.1317 0.1102
Echinococcus multilocularis serine protein kinase ATM 0.0393 0.1317 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.121 0.569 0.5584
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0192 0.0242 0.5
Echinococcus granulosus serine protein kinase ATM 0.0393 0.1317 0.1102
Brugia malayi Integrin beta pat-3 precursor 0.0341 0.1043 0.0945
Trichomonas vaginalis PIKK family atypical protein kinase 0.1093 0.5065 0.4943
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.5627 0.5519
Echinococcus granulosus integrin beta 2 0.0253 0.0569 0.0336
Brugia malayi FAT domain containing protein 0.0293 0.0781 0.0681
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0342 0.1047 0.0825
Trichomonas vaginalis PIKK family atypical protein kinase 0.1605 0.7809 0.7755
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1033 0.4744 0.4614
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0192 0.0242 0.0242
Brugia malayi hypothetical protein 0.0182 0.0192 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.1722 0.8434 0.8395
Schistosoma mansoni integrin beta subunit 0.0201 0.0292 0.0186
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0685 0.2883 0.2883
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2015 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0192 0.0242 0.0242
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0423 0.1481 0.1389
Loa Loa (eye worm) integrin alpha pat-2 0.0257 0.0591 0.0591
Trichomonas vaginalis PIKK family atypical protein kinase 0.1605 0.7809 0.7755
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.5074 0.4952
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0459 0.1673 0.1467
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0685 0.2883 0.2805
Trichomonas vaginalis PIKK family atypical protein kinase 0.2015 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.029 0.0767 0.0538
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0192 0.0242 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.5074 0.4952
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0393 0.1317 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.061 0.2479 0.2293
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.061 0.2479 0.2293
Loa Loa (eye worm) hypothetical protein 0.0293 0.0781 0.0781
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.2883 0.2707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.1317 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.1317 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.1313 0.6243 0.615
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.061 0.2479 0.2293
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.5627 0.5519
Onchocerca volvulus 0.0182 0.0192 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0685 0.2883 0.2707
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0249 0.055 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.2015 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.061 0.2479 0.2479
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2015 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0685 0.2883 0.2707
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.029 0.0767 0.0667
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.2015 1 1
Echinococcus multilocularis integrin beta 2 0.0253 0.0569 0.0336
Loa Loa (eye worm) hypothetical protein 0.0182 0.0192 0.0192
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0393 0.1317 0.1223
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0685 0.2883 0.2707
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.061 0.2479 0.2397
Trichomonas vaginalis conserved hypothetical protein 0.0293 0.0781 0.0553
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1033 0.4744 0.4687
Trichomonas vaginalis conserved hypothetical protein 0.0249 0.055 0.0316
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2015 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0685 0.2883 0.2707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.1317 0.1102
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0192 0.0242 0.0242
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0393 0.1317 0.1102
Loa Loa (eye worm) hypothetical protein 0.0436 0.1549 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Loa Loa (eye worm) hypothetical protein 0.0169 0.0122 0.0122
Entamoeba histolytica hypothetical protein 0.0393 0.1317 0.1102
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.029 0.0767 0.0767
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0293 0.0781 0.0553
Entamoeba histolytica hypothetical protein 0.0511 0.1953 0.1754
Trichomonas vaginalis PIKK family atypical protein kinase 0.1605 0.7809 0.7755
Trichomonas vaginalis PIKK family atypical protein kinase 0.1094 0.5074 0.4952
Loa Loa (eye worm) hypothetical protein 0.0393 0.1317 0.1317
Trichomonas vaginalis PIKK family atypical protein kinase 0.1093 0.5065 0.4943
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2015 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.2883 0.2707
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.044 0.1573 0.1364
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0466 0.1712 0.1507
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0685 0.2883 0.2707
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2015 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2015 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0293 0.0781 0.0553
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.029 0.0767 0.0667
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.061 0.2479 0.2293
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0393 0.1317 0.1223
Loa Loa (eye worm) hypothetical protein 0.0408 0.1398 0.1398
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2015 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0685 0.2883 0.2883
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.044 0.1573 0.1481
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Trichomonas vaginalis PIKK family atypical protein kinase 0.1356 0.6475 0.6387
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1607 0.7818 0.7764
Entamoeba histolytica protein kinase rad3, putative 0.0393 0.1317 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1033 0.4744 0.4614
Loa Loa (eye worm) hypothetical protein 0.0249 0.055 0.055
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Trichomonas vaginalis conserved hypothetical protein 0.0436 0.1549 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0249 0.055 0.0316
Giardia lamblia GTOR 0.2015 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0192 0.0242 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Trichomonas vaginalis PIKK family atypical protein kinase 0.1093 0.5065 0.4943
Trichomonas vaginalis PIKK family atypical protein kinase 0.1502 0.7256 0.7188
Trichomonas vaginalis PIKK family atypical protein kinase 0.121 0.569 0.5584
Loa Loa (eye worm) phosphatidylinositol 3 0.0685 0.2883 0.2883
Trypanosoma cruzi target of rapamycin kinase 3 0.1607 0.7818 0.7818
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2015 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0361 0.1148 0.0674
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0393 0.1317 0.1223
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.061 0.2479 0.2479
Schistosoma mansoni fkbp-rapamycin associated protein 0.0393 0.1317 0.1223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4654 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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