Detailed information for compound 829133

Basic information

Technical information
  • TDR Targets ID: 829133
  • Name: 5-(2-bromophenyl)-6-(2,5-dimethylphenyl)-1,3- dimethylpyrrolo[3,4-e]pyrimidine-2,4-dione
  • MW: 438.317 | Formula: C22H20BrN3O2
  • H donors: 0 H acceptors: 2 LogP: 4.29 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)n1cc2c(c1c1ccccc1Br)c(=O)n(c(=O)n2C)C)C
  • InChi: 1S/C22H20BrN3O2/c1-13-9-10-14(2)17(11-13)26-12-18-19(21(27)25(4)22(28)24(18)3)20(26)15-7-5-6-8-16(15)23/h5-12H,1-4H3
  • InChiKey: SEWCULFFULGROQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2-bromophenyl)-6-(2,5-dimethylphenyl)-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2,4-dione
  • 5-(2-bromophenyl)-6-(2,5-dimethylphenyl)-1,3-dimethyl-pyrrolo[3,4-e]pyrimidine-2,4-quinone

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
Mycobacterium tuberculosis Conserved protein 0.007 0.025 0.0572
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0424 0.3959 0.8929
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0424 0.3959 0.6002
Brugia malayi 6-phosphofructokinase 0.0105 0.0622 0.3818
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0622 0.0594
Trypanosoma brucei hypothetical protein, conserved 0.007 0.025 0.4026
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.025 0.0572
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0622 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.248 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.0967 0.1725
Echinococcus granulosus microtubule associated protein 2 0.0668 0.6507 0.6507
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.025 0.0572
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0735 0.1681
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.025 0.0572
Brugia malayi beta-lactamase 0.007 0.025 0.1537
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.0894
Treponema pallidum penicillin-binding protein (pbp-2) 0.0467 0.4404 0.5097
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0424 0.3959 0.9055
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0467 0.4404 1
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.0967 0.2211
Brugia malayi beta-lactamase family protein 0.007 0.025 0.1537
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.025 0.4026
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0165 0.125 0.286
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0154 0.1133 0.2126
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.6507 1
Brugia malayi 6-phosphofructokinase 0.0105 0.0622 0.3818
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0622 0.0594
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1919 0.4018
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.025 0.0572
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0467 0.4404 0.6722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.248 1
Leishmania major hypothetical protein, conserved 0.007 0.025 0.4026
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.0622 0.0601
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0328 0.2954 0.6757
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.066 0.6429 1
Loa Loa (eye worm) beta-lactamase 0.007 0.025 0.1537
Plasmodium vivax hypothetical protein, conserved 0.007 0.025 1
Trichomonas vaginalis conserved hypothetical protein 0.0467 0.4404 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.025 0.1537
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0165 0.125 0.2408
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.0894
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0613 0.1403
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0464 0.4372 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0622 0.3818
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0613 0.1403
Brugia malayi phosphofructokinase 0.0105 0.0622 0.3818
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0622 0.1422
Plasmodium falciparum glutathione reductase 0.0046 0 0.5
Onchocerca volvulus 0.0229 0.1919 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.1628 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0613 0.1403
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.025 0.0572
Mycobacterium tuberculosis Probable reductase 0.0104 0.0613 0.1403
Brugia malayi beta-lactamase family protein 0.007 0.025 0.1537
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0735 0.1681
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0328 0.2954 0.4376
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0464 0.4372 0.667
Mycobacterium tuberculosis Conserved protein 0.007 0.025 0.0572
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.025 0.4026
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0154 0.1133 0.2592
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0622 0.0894
Brugia malayi Pre-SET motif family protein 0.0201 0.1628 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.025 0.1537
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0622 1
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0154 0.1133 0.1429
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0622 0.0622
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0445 0.4179 0.9557
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0662 0.6447 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.025 0.0572
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.0967 0.1159
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0613 0.0874
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.025 0.025
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0613 0.1403
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.248 0.2505
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.0894
Mycobacterium tuberculosis Conserved protein 0.007 0.025 0.0572
Chlamydia trachomatis transglycolase/transpeptidase 0.0662 0.6447 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.248 0.5369
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0622 0.0894
Treponema pallidum penicillin-binding protein (pbp-3) 0.0815 0.8042 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.025 0.0385
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0328 0.2954 0.651
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0613 0.1403
Treponema pallidum hypothetical protein 0.0154 0.1133 0.069
Toxoplasma gondii ABC1 family protein 0.007 0.025 1
Loa Loa (eye worm) hypothetical protein 0.007 0.025 0.1537
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.6507 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.248 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0735 0.1681
Treponema pallidum penicillin-binding protein (pbp-1) 0.0662 0.6447 0.7851
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0622 0.0955
Plasmodium falciparum thioredoxin reductase 0.0046 0 0.5
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0622 0.3818
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0622 1
Mycobacterium tuberculosis Probable hydrolase 0.007 0.025 0.0572
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0157 0.1165 0.2665
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0735 0.1167
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0464 0.4372 0.9924
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0622 0.3818

Activities

No activities found for this compound.

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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