Detailed information for compound 1201740

Basic information

Technical information
  • TDR Targets ID: 1201740
  • Name: N-(2,4-dimethylphenyl)-4-oxo-4-(2-(3-phenylpr opanoyl)hydrazinyl)butanamide
  • MW: 367.442 | Formula: C21H25N3O3
  • H donors: 3 H acceptors: 3 LogP: 2.41 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)Nc1ccc(cc1C)C)NNC(=O)CCc1ccccc1
  • InChi: 1S/C21H25N3O3/c1-15-8-10-18(16(2)14-15)22-19(25)12-13-21(27)24-23-20(26)11-9-17-6-4-3-5-7-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
  • InChiKey: RRFBYEWNFOCCSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethylphenyl)-4-oxo-4-(N'-(3-phenylpropanoyl)hydrazino)butanamide
  • N-(2,4-dimethylphenyl)-4-oxo-4-[N'-(1-oxo-3-phenylpropyl)hydrazino]butanamide
  • N-(2,4-dimethylphenyl)-4-keto-4-(N'-(3-phenylpropanoyl)hydrazino)butyramide
  • BAS 02284606
  • N-(2,4-Dimethyl-phenyl)-4-oxo-4-[N'-(3-phenyl-propionyl)-hydrazino]-butyramide
  • ZINC02132096
  • MLS000687538
  • SMR000283555
  • AN-329/14660020
  • ARONIS021328
  • ST5302358

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Onchocerca volvulus 0.007 0.1473 1
Onchocerca volvulus 0.007 0.1473 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Onchocerca volvulus Cathepsin L homolog 0.007 0.1473 1
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.0597 0.0597
Plasmodium falciparum cysteine proteinase falcipain 3 0.007 0.1473 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.007 0.1473 0.1473
Onchocerca volvulus Cathepsin L homolog 0.007 0.1473 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Echinococcus multilocularis cathepsin b 0.0282 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0282 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 1 1
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.007 0.1473 1
Onchocerca volvulus 0.007 0.1473 1
Toxoplasma gondii cathepsin B 0.0282 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.007 0.1473 0.1473
Loa Loa (eye worm) ctsf protein 0.007 0.1473 0.1473
Plasmodium falciparum cysteine proteinase falcipain 1 0.0048 0.0597 0.4054
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0282 1 1
Loa Loa (eye worm) fibroinase 0.007 0.1473 0.1473
Onchocerca volvulus Cathepsin F homolog 0.007 0.1473 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0597 0.4054
Echinococcus granulosus cathepsin b 0.0282 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.1473 0.1473
Echinococcus multilocularis cathepsin L 0.0048 0.0597 0.0597
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Echinococcus multilocularis cathepsin b 0.0282 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Echinococcus granulosus cathepsin L 0.0048 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Brugia malayi Papain family cysteine protease containing protein 0.007 0.1473 0.1473
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0597 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.007 0.1473 0.1473
Echinococcus granulosus cysteine protease 0.0048 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Onchocerca volvulus 0.007 0.1473 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0876 0.0876
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0282 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Schistosoma mansoni cathepsin F (C01 family) 0.007 0.1473 0.1473
Plasmodium vivax vivapain-2 0.007 0.1473 1
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.1473 0.1473
Echinococcus granulosus cathepsin l1 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Onchocerca volvulus 0.007 0.1473 1
Echinococcus granulosus cathepsin b 0.0282 1 1
Giardia lamblia Cathepsin B precursor 0.0282 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0055 0.0876 0.0876
Plasmodium vivax vivapain-1 0.0048 0.0597 0.4054
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Onchocerca volvulus 0.007 0.1473 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Brugia malayi Cathepsin L-like precursor 0.0055 0.0876 0.0876
Giardia lamblia Cathepsin B precursor 0.0282 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0048 0.0597 0.4054
Brugia malayi Cathepsin L-like precursor 0.0055 0.0876 0.0876
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0597 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.007 0.1473 0.1473
Loa Loa (eye worm) hypothetical protein 0.0055 0.0876 0.0876
Echinococcus granulosus cathepsin L cysteine proteinase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Entamoeba histolytica cysteine proteinase 2 0.0048 0.0597 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0876 0.0876
Brugia malayi Cathepsin L-like cysteine proteinase 0.0055 0.0876 0.0876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Loa Loa (eye worm) cysteine protease 0.007 0.1473 0.1473
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0055 0.0876 0.0876
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0048 0.0597 0.0597
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.007 0.1473 0.1473
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0282 1 1
Plasmodium vivax unspecified product 0.0048 0.0597 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Loa Loa (eye worm) hypothetical protein 0.007 0.1473 0.1473
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.007 0.1473 0.1473
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0876 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.1473 0.1473
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Echinococcus granulosus cathepsin l1 0.0055 0.0876 0.0876
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.1473 0.1473
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.0876 0.0876
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0597 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Echinococcus granulosus cathepsin l cysteine peptidase 0.007 0.1473 0.1473
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0597 0.0597
Entamoeba histolytica cysteine proteinase, putative 0.007 0.1473 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0597 0.0597
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0282 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.007 0.1473 1
Toxoplasma gondii cathepsin CPL 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0876 0.0876
Entamoeba histolytica cysteine protease, putative 0.007 0.1473 1
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0597 0.0597
Plasmodium vivax vivapain-2 0.007 0.1473 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Echinococcus granulosus cathepsin L cysteine protease 0.0048 0.0597 0.0597
Entamoeba histolytica cysteine protease, putative 0.0048 0.0597 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 1 1
Trypanosoma cruzi cysteine protease, putative 0.0048 0.0597 0.0597
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Giardia lamblia Cathepsin B precursor 0.0282 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.007 0.1473 0.1473
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0282 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.1473 0.0931
Plasmodium vivax vivapain-3 0.0048 0.0597 0.4054
Brugia malayi Cathepsin L-like precursor 0.007 0.1473 0.1473
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.0597 0.0597
Brugia malayi cathepsin L-like precursor 0.0055 0.0876 0.0876
Echinococcus multilocularis cysteine protease 0.007 0.1473 0.1473
Entamoeba histolytica cysteine proteinase, putative 0.007 0.1473 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0282 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0282 1 1
Loa Loa (eye worm) cathepsin B 0.0282 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Onchocerca volvulus 0.0055 0.0876 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.007 0.1473 0.1473
Echinococcus multilocularis cysteine protease 0.007 0.1473 0.1473
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Echinococcus multilocularis cathepsin l cysteine peptidase 0.007 0.1473 0.1473
Onchocerca volvulus 0.007 0.1473 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.007 0.1473 0.1473
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0597 0.4054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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