Detailed information for compound 732548

Basic information

Technical information
  • TDR Targets ID: 732548
  • Name: 3,4-dichloro-1-(3-chlorophenyl)pyrrole-2,5-di one
  • MW: 276.503 | Formula: C10H4Cl3NO2
  • H donors: 0 H acceptors: 2 LogP: 3.34 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1C(=O)C(=C(C1=O)Cl)Cl
  • InChi: 1S/C10H4Cl3NO2/c11-5-2-1-3-6(4-5)14-9(15)7(12)8(13)10(14)16/h1-4H
  • InChiKey: RLRJZOHJBHQUJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-dichloro-1-(3-chlorophenyl)-3-pyrroline-2,5-quinone
  • 5353-78-6
  • ST5184080
  • ZINC00140780
  • MLS-0090827.0001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus B cell leukemia/lymphoma 2 related protein A1a 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) phosphatidylinositol 3 0.0051 0.0421 0.0711
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.1329 0.1594
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0261 0.3372 0.3372
Onchocerca volvulus 0.0503 0.6779 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.01 0.1113 0.1197
Loa Loa (eye worm) glutathione reductase 0.0051 0.0417 0.0705
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4127 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.1329 0.1594
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0129 0.0056
Leishmania major hypothetical protein, conserved 0.0072 0.0712 0.1135
Toxoplasma gondii ABC1 family protein 0.0072 0.0712 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0712 0.0516
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0712 0.172
Onchocerca volvulus 0.0072 0.0712 0.105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0421 0.0493
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0051 0.0421 0.5
Plasmodium falciparum glutathione reductase 0.0051 0.0417 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0274 0.0274
Leishmania major trypanothione reductase 0.0051 0.0417 0.0369
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.151 0.1911
Loa Loa (eye worm) hypothetical protein 0.0107 0.1212 0.2048
Echinococcus multilocularis thyroid hormone receptor alpha 0.0281 0.3666 0.3666
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0044 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0092 0.0001
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0712 1
Onchocerca volvulus 0.0063 0.0597 0.0881
Onchocerca volvulus 0.0072 0.0712 0.105
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Echinococcus granulosus microtubule associated protein 2 0.0682 0.9301 0.9301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0421 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1644 0.2777
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0149 0.1798 0.4353
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.017 0.0118
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.151 0.1911
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0314 0.4127 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0133 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0597 0.0642
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0712 0.0928
Schistosoma mansoni thyroid hormone receptor 0.0281 0.3666 0.3942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.01 0.1113 0.1113
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0712 0.0928
Trichomonas vaginalis set domain proteins, putative 0.0503 0.6779 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0712 0.0516
Trichomonas vaginalis esterase, putative 0.0072 0.0712 0.0928
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0327 0.0136
Brugia malayi Pre-SET motif family protein 0.0063 0.0597 0.1008
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0712 0.0516
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0417 0.0705
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0092 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0274 0.0274
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0133 0.0062
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.1329 0.1594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0185 0.0141
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.151 1
Giardia lamblia GTOR 0.0051 0.0421 0.5
Onchocerca volvulus 0.0107 0.1212 0.1789
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0417 0.0417
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0463 0.0489
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.2035 0.2828
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0051 0.0421 0.1014
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0051 0.0421 0.5
Schistosoma mansoni apoptosis regulator bax 0.01 0.1113 0.1197
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0564 0.0564
Brugia malayi glutathione reductase 0.0051 0.0417 0.0705
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0327 0.0136
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0417 0.0369
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0051 0.0421 0.0378
Echinococcus multilocularis tumor protein p63 0.0731 1 1
Mycobacterium tuberculosis Probable reductase 0.0115 0.1329 0.1594
Schistosoma mansoni hypothetical protein 0.0261 0.3372 0.3625
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0712 0.0516
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1644 0.2777
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0597 0.7576
Brugia malayi Thioredoxin reductase 0.0051 0.0417 0.0705
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.1329 0.1594
Plasmodium falciparum thioredoxin reductase 0.0051 0.0417 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0051 0.0421 0.0378
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0275 0.066
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0051 0.0421 0.0421
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0051 0.0421 0.0421
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0051 0.0421 0.0452
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0712 0.0712
Loa Loa (eye worm) beta-lactamase 0.0072 0.0712 0.1203
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0712 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0092 0.0001
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1798 0.3954
Brugia malayi MH2 domain containing protein 0.0138 0.1644 0.2777
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Loa Loa (eye worm) hypothetical protein 0.01 0.1113 0.188
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0051 0.0421 0.0378
Schistosoma mansoni hypothetical protein 0.01 0.1113 0.1197
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0597 0.0597
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1798 0.3954
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0051 0.0421 0.1014
Mycobacterium tuberculosis Conserved protein 0.0072 0.0712 0.0516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Leishmania major mitochondrial DNA polymerase beta 0.0314 0.4127 1
Toxoplasma gondii hypothetical protein 0.0051 0.0419 0.382
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.1329 0.1594
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0712 0.0928
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0712 0.0928
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0442 0.592 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0712 0.0928
Mycobacterium ulcerans hypothetical protein 0.0165 0.2035 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0457 0.6136 1
Echinococcus multilocularis microtubule associated protein 2 0.0682 0.9301 0.9301
Brugia malayi beta-lactamase family protein 0.0072 0.0712 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0129 0.0056
Schistosoma mansoni hypothetical protein 0.01 0.1113 0.1197
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0712 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0274 0.0274
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0327 0.0787
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.01 0.1113 0.188
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0274 0.0274
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0421 0.0493
Schistosoma mansoni thyroid hormone receptor 0.0281 0.3666 0.3942
Loa Loa (eye worm) hypothetical protein 0.0063 0.0597 0.1008
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0261 0.3372 0.3372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0092 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0712 0.0766
Brugia malayi beta-lactamase 0.0072 0.0712 0.1203
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0597 0.0597
Trypanosoma brucei trypanothione reductase 0.0051 0.0417 0.1005
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0712 0.0712
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0597 0.0642
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0417 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0274 0.0274
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0133 0.0062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0051 0.0421 0.0711
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0712 0.1135
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0712 0.0516
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0712 0.0516
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0327 0.0136
Toxoplasma gondii thioredoxin reductase 0.0051 0.0417 0.3788
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.1212 0.1304
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.1329 0.773
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0597 0.0597
Brugia malayi beta-lactamase family protein 0.0072 0.0712 0.1203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0597 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Onchocerca volvulus 0.0072 0.0712 0.105
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.01 0.1113 0.1113
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.01 0.1113 0.1113
Loa Loa (eye worm) hypothetical protein 0.0072 0.0712 0.1203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0597 0.0642
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0712 0.1135
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0712 0.0516
Schistosoma mansoni hypothetical protein 0.01 0.1113 0.1197
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0712 0.0516
Plasmodium vivax SET domain protein, putative 0.0063 0.0597 0.6097
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0712 0.1203
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4127 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.01 0.1113 0.1113
Schistosoma mansoni microtubule-associated protein tau 0.0682 0.9301 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0051 0.0421 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0238 0.0219
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.151 0.1911
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0712 0.0516
Brugia malayi Pre-SET motif family protein 0.0442 0.592 1
Loa Loa (eye worm) apoptosis regulator protein 0.01 0.1113 0.188
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0316 0.0336

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.41 um PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 621, 432 ] ChEMBL. No reference
IC50 (binding) = 5.17 um PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1. (Class of assay: confirmatory) [Related pubchem assays: 432 ] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (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.
 
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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