Detailed information for compound 1488223

Basic information

Technical information
  • TDR Targets ID: 1488223
  • Name: 4-[2-[2-(2,4-dibromo-6-methylphenoxy)acetyl]h ydrazinyl]-4-oxo-N-(phenylmethyl)butanamide
  • MW: 527.206 | Formula: C20H21Br2N3O4
  • H donors: 3 H acceptors: 3 LogP: 3.17 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CCC(=O)NCc1ccccc1)NNC(=O)COc1c(C)cc(cc1Br)Br
  • InChi: 1S/C20H21Br2N3O4/c1-13-9-15(21)10-16(22)20(13)29-12-19(28)25-24-18(27)8-7-17(26)23-11-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)
  • InChiKey: HHYPBDIGPPHRHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[N'-[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]hydrazino]-4-oxo-N-(phenylmethyl)butanamide
  • 4-[N'-[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazino]-4-oxo-N-(phenylmethyl)butanamide
  • N-(benzyl)-4-[N'-[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]hydrazino]-4-keto-butyramide
  • 4-[2-[2-(2,4-dibromo-6-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxo-N-(phenylmethyl)butanamide
  • STK037955
  • AN-329/40926384
  • ARONIS004697

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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0305 0.3047 0.2834
Plasmodium falciparum cysteine proteinase falcipain 3 0.0163 0.1309 1
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.0491 0.375
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0096 0.0491 0.02
Trypanosoma cruzi cysteine peptidase, putative 0.0163 0.1309 0.1309
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0223 0.2043 0.18
Echinococcus granulosus cathepsin l cysteine peptidase 0.0163 0.1309 0.1043
Echinococcus multilocularis cathepsin L 0.0096 0.0491 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0118 0.0751 0.1018
Entamoeba histolytica cysteine protease, putative 0.0163 0.1309 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Trypanosoma brucei calpain-like protein, putative 0.0081 0.0296 0.0973
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0118 0.0751 0.1018
Echinococcus granulosus cathepsin b 0.0873 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.0751 0.0751
Echinococcus multilocularis cathepsin b 0.0873 1 1
Echinococcus multilocularis calpain A 0.0223 0.2043 0.18
Echinococcus granulosus cathepsin b 0.0873 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0973
Brugia malayi Papain family cysteine protease containing protein 0.0096 0.0491 0.0491
Echinococcus multilocularis cathepsin b 0.0873 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0096 0.0491 0.0491
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0096 0.0491 0.02
Trypanosoma brucei cysteine peptidase C (CPC) 0.0305 0.3047 1
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.1309 1
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Plasmodium vivax vivapain-1 0.0096 0.0491 0.192
Brugia malayi calpain family protein 1 0.0213 0.1924 0.1924
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Onchocerca volvulus 0.0163 0.1309 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Toxoplasma gondii cathepsin B 0.0305 0.3047 1
Plasmodium vivax vivapain-2 0.0163 0.1309 1
Trypanosoma cruzi cysteine proteinase, putative 0.0096 0.0491 0.0491
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0163 0.1309 0.1309
Plasmodium vivax unspecified product 0.0096 0.0491 0.192
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0296
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Brugia malayi calpain 7 0.0081 0.0296 0.0296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Loa Loa (eye worm) calpain 0.0081 0.0296 0.0296
Loa Loa (eye worm) calpain family protein 1 0.0157 0.1235 0.1235
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Echinococcus multilocularis cathepsin L cysteine protease 0.0163 0.1309 0.1043
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0973
Echinococcus multilocularis cysteine protease 0.0163 0.1309 0.1043
Onchocerca volvulus Cathepsin L homolog 0.0163 0.1309 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0296
Echinococcus multilocularis cysteine protease 0.0163 0.1309 0.1043
Entamoeba histolytica cysteine proteinase 2 0.0096 0.0491 0.375
Loa Loa (eye worm) ctsf protein 0.0163 0.1309 0.1309
Loa Loa (eye worm) cysteine protease 0.0163 0.1309 0.1309
Trypanosoma cruzi cysteine peptidase, putative 0.0163 0.1309 0.1309
Trypanosoma cruzi cysteine peptidase, putative 0.0163 0.1309 0.1309
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0133 0.0938 0.0938
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0163 0.1309 0.1043
Brugia malayi Papain family cysteine protease containing protein 0.0163 0.1309 0.1309
Loa Loa (eye worm) hypothetical protein 0.0189 0.1628 0.1628
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Plasmodium vivax vivapain-2 0.0163 0.1309 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Loa Loa (eye worm) calpain family protein 1 0.0213 0.1924 0.1924
Trypanosoma cruzi cysteine proteinase, putative 0.0096 0.0491 0.0491
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0213 0.1924 0.1678
Trypanosoma brucei calpain-like protein, putative 0.0081 0.0296 0.0973
Loa Loa (eye worm) hypothetical protein 0.0157 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0118 0.0751 0.0751
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0163 0.1309 0.1043
Loa Loa (eye worm) hypothetical protein 0.0213 0.1924 0.1924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0163 0.1309 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1309 0.1309
Onchocerca volvulus 0.0163 0.1309 1
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.1309 1
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Giardia lamblia Cathepsin B precursor 0.0305 0.3047 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0296
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0296
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.0491 0.375
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.0491 0.375
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Onchocerca volvulus 0.0163 0.1309 1
Giardia lamblia Cathepsin B precursor 0.0305 0.3047 0.5
Trypanosoma brucei calpain-like protein, putative 0.0081 0.0296 0.0973
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0873 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0296
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.0491 0.1611
Onchocerca volvulus 0.0163 0.1309 1
Trypanosoma cruzi cysteine protease, putative 0.0096 0.0491 0.0491
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0873 1 1
Brugia malayi Cathepsin L-like precursor 0.0163 0.1309 0.1309
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0118 0.0751 0.0751
Loa Loa (eye worm) hypothetical protein 0.0873 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0096 0.0491 0.1611
Loa Loa (eye worm) hypothetical protein 0.0118 0.0751 0.0751
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Brugia malayi Cathepsin L-like precursor 0.0118 0.0751 0.0751
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0223 0.2043 0.18
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0163 0.1309 0.1043
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Onchocerca volvulus 0.0163 0.1309 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0973
Trypanosoma cruzi cruzipain precursor, putative 0.0163 0.1309 0.1309
Brugia malayi calpain family protein 1 0.0213 0.1924 0.1924
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0096 0.0491 0.02
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0296
Onchocerca volvulus 0.0163 0.1309 1
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0296 0.0296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Echinococcus granulosus cathepsin l1 0.0163 0.1309 0.1043
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0305 0.3047 1
Onchocerca volvulus 0.0163 0.1309 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0081 0.0296 0.0296
Brugia malayi Cathepsin L-like cysteine proteinase 0.0118 0.0751 0.0751
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0973
Brugia malayi cathepsin L-like precursor 0.0118 0.0751 0.0751
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0163 0.1309 0.1309
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Loa Loa (eye worm) fibroinase 0.0163 0.1309 0.1309
Brugia malayi Cathepsin L-like precursor 0.0118 0.0751 0.0751
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0163 0.1309 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0118 0.0751 0.0469
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Loa Loa (eye worm) cathepsin B 0.0305 0.3047 0.3047
Entamoeba histolytica cysteine proteinase, putative 0.0118 0.0751 0.5739
Entamoeba histolytica cysteine proteinase, putative 0.0096 0.0491 0.375
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0223 0.2043 0.18
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0296 0.0973
Trypanosoma brucei antigen, putative 0.0081 0.0296 0.0973
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Trypanosoma brucei calpain-like protein, putative 0.0081 0.0296 0.0973
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0305 0.3047 1
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Entamoeba histolytica cysteine proteinase 1, putative 0.0096 0.0491 0.375
Brugia malayi Papain family cysteine protease containing protein 0.0096 0.0491 0.0491
Entamoeba histolytica cysteine protease, putative 0.0096 0.0491 0.375
Onchocerca volvulus Cathepsin F homolog 0.0163 0.1309 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Leishmania major cysteine peptidase A (CPA) 0.0163 0.1309 0.4296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0163 0.1309 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0163 0.1309 0.1043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.1309 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0163 0.1309 0.1309
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.0491 0.0491
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0873 1 1
Echinococcus granulosus cathepsin l1 0.0118 0.0751 0.0469
Echinococcus granulosus cysteine protease 0.0096 0.0491 0.02
Echinococcus granulosus cathepsin L cysteine proteinase 0.0163 0.1309 0.1043
Leishmania major cathepsin L-like protease 0.0163 0.1309 0.4296
Plasmodium vivax vivapain-3 0.0096 0.0491 0.192
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0223 0.2043 0.18
Echinococcus granulosus cathepsin L 0.0096 0.0491 0.02
Giardia lamblia Cathepsin B precursor 0.0305 0.3047 0.5
Onchocerca volvulus 0.0133 0.0938 0.3355
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0163 0.1309 0.3201
Echinococcus multilocularis cathepsin L cysteine protease 0.0163 0.1309 0.1043
Echinococcus granulosus cathepsin L cysteine protease 0.0096 0.0491 0.02
Onchocerca volvulus Cathepsin L homolog 0.0163 0.1309 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0163 0.1309 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0305 0.3047 0.3047
Echinococcus multilocularis calpain family protein 1, d 0.0157 0.1235 0.0967
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.1309 0.4296
Echinococcus granulosus calpain A 0.0223 0.2043 0.18

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 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

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.
 
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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