Detailed information for compound 909492

Basic information

Technical information
  • TDR Targets ID: 909492
  • Name: 5-(4-bromothiophen-2-yl)-2,4,7-trioxo-1,8-dih ydropyrido[6,5-d]pyrimidine-6-carbonitrile
  • MW: 365.162 | Formula: C12H5BrN4O3S
  • H donors: 3 H acceptors: 5 LogP: 1.99 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(O)nc2c(c1c1scc(c1)Br)c(=O)[nH]c(=O)[nH]2
  • InChi: 1S/C12H5BrN4O3S/c13-4-1-6(21-3-4)7-5(2-14)10(18)15-9-8(7)11(19)17-12(20)16-9/h1,3H,(H3,15,16,17,18,19,20)
  • InChiKey: TUFYNMJVQCRUTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-bromo-2-thienyl)-2,4,7-trioxo-1,8-dihydropyrido[6,5-d]pyrimidine-6-carbonitrile
  • 5-(4-bromo-2-thienyl)-2,4,7-triketo-1,8-dihydropyrido[6,5-d]pyrimidine-6-carbonitrile
  • CBMicro_013248
  • BIM-0013246.P001
  • Oprea1_800862

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
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0029 0.4203 0.4086
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.4203 0.4086
Echinococcus multilocularis multidrug resistance protein 1 0.0046 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0046 0.9802 0.9798
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3977 0.5537
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3979 0.5539
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3977 0.5537
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0046 1 1
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0017 0.0198 0.0198
Giardia lamblia ABC transporter, putative 0.0029 0.4203 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0037 0.7023 0.6963
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0046 1 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.0198 0.0198
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0046 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0029 0.4203 0.4086
Brugia malayi multidrug resistance related protein 1 0.0029 0.4203 0.4203
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Schistosoma mansoni multidrug resistance protein 0.0029 0.4203 0.4203
Trypanosoma cruzi multidrug resistance protein E, putative 0.0029 0.4203 0.5867
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.4203 0.5867
Loa Loa (eye worm) multidrug resistance protein 3 0.0046 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Trichomonas vaginalis ABC transporter, putative 0.0046 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4203 0.4203
Leishmania major p-glycoprotein e 0.0029 0.4203 0.4086
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Trichomonas vaginalis abcb9, putative 0.0046 1 1
Brugia malayi ABC transporter 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0029 0.4203 0.4203
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Entamoeba histolytica P-glycoprotein-1 0.0046 1 1
Trypanosoma brucei p-glycoprotein 0.0029 0.4203 0.5867
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.4203 0.5867
Schistosoma mansoni smdr1 0.0017 0.0198 0.0198
Echinococcus granulosus multidrug resistance protein 1 0.003 0.4524 0.4524
Leishmania major ABC-thiol transporter 0.0029 0.4203 0.4086
Entamoeba histolytica ABC transporter, putative 0.0029 0.4203 0.4203
Entamoeba histolytica P-glycoprotein-2 0.0046 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3979 0.5539
Brugia malayi hypothetical protein 0.0017 0.0198 0.0198
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0046 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0037 0.7023 0.6963
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0029 0.4203 0.4203
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0046 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Onchocerca volvulus 0.0046 1 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0046 1 1
Trypanosoma brucei trans-sialidase 0.0028 0.3979 0.5539
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0046 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0037 0.7023 0.7023
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.7023 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0017 0.0198 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0046 1 1
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Trypanosoma brucei multidrug resistance protein E 0.0029 0.4203 0.5867
Trichomonas vaginalis ABC transporter, putative 0.0046 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0017 0.0198 0.5
Trichomonas vaginalis abcb9, putative 0.0046 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0017 0.0198 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0029 0.4203 0.4086
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4203 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0037 0.7023 0.7023
Leishmania major pentamidine resistance protein 1 0.0029 0.4203 0.4086
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0046 0.9802 0.9802
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0046 1 1
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4203 0.4203
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0046 1 1
Schistosoma mansoni multidrug resistance protein 0.0029 0.4203 0.4203
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.4203 0.5867
Trypanosoma brucei trans-sialidase, putative 0.0028 0.3979 0.5539
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4203 0.4203
Entamoeba histolytica P-glycoprotein 5, putative 0.0046 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.7023 0.7023
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 0.7023 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0046 1 1
Leishmania major p-glycoprotein 0.0046 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0029 0.4203 0.4203
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Entamoeba histolytica P-glycoprotein-5 0.0046 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0029 0.4203 0.4086
Giardia lamblia Multidrug resistance-associated protein 1 0.0028 0.4005 0.9529
Plasmodium vivax multidrug resistance protein 1, putative 0.0046 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.003 0.4524 0.4524
Trypanosoma brucei trans-sialidase, putative 0.0028 0.3979 0.5539
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0046 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.4203 0.5867
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Entamoeba histolytica P-glycoprotein-2 0.0046 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 0.7023 0.7023
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.7023 0.6963
Echinococcus multilocularis multidrug resistance associated protein 7 0.0029 0.4203 0.4086
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0037 0.7023 0.7023
Trichomonas vaginalis ABC transporter, putative 0.0046 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0046 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0029 0.4203 0.4203
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.7023 0.7023
Trichomonas vaginalis taga, putative 0.0046 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0029 0.4203 0.4203
Loa Loa (eye worm) hypothetical protein 0.0028 0.4005 0.4005
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0046 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0046 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0037 0.7023 0.6963
Loa Loa (eye worm) hypothetical protein 0.0029 0.4203 0.4203
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Giardia lamblia MRP-like ABC transporter 0.0029 0.4203 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0037 0.7023 1
Trypanosoma brucei trans-sialidase, putative 0.0028 0.3979 0.5539
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4203 1
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Entamoeba histolytica hypothetical protein 0.0029 0.4203 0.4203
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0017 0.0198 0.5
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0037 0.7023 0.7023
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0029 0.4203 0.4086
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Trypanosoma brucei trans-sialidase, putative 0.0028 0.3979 0.5539
Loa Loa (eye worm) hypothetical protein 0.0029 0.4203 0.4203
Brugia malayi P-glycoprotein-like protein 0.0017 0.0198 0.0198
Trichomonas vaginalis ABC transporter, putative 0.0046 1 1
Trypanosoma brucei trans-sialidase, putative 0.0028 0.3979 0.5539
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0046 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 0.7023 0.7023
Echinococcus granulosus multidrug resistance protein 1 0.003 0.4524 0.4524
Trichomonas vaginalis abcb9, putative 0.0046 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0017 0.0198 0.0198
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0046 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0046 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0046 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.3979 0.5539
Echinococcus multilocularis multidrug resistance protein 1 0.0046 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.003 0.4524 0.4413
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0046 1 1
Brugia malayi ABC transporter family protein 0.0046 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3977 0.5537
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3979 0.5539
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0046 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4203 0.4203
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0037 0.7023 0.6963
Schistosoma mansoni multidrug resistance protein 0.0029 0.4203 0.4203
Schistosoma mansoni multidrug resistance protein 0.0046 1 1
Schistosoma mansoni smdr2 0.0046 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0037 0.7023 0.7023
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0198 0.0198
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0046 1 1
Plasmodium falciparum multidrug resistance protein 1 0.0046 1 1
Schistosoma mansoni multidrug resistance protein 0.0046 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0046 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.0046 1 1
Schistosoma mansoni multidrug resistance protein 0.0017 0.0198 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0046 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0029 0.4203 0.4203
Loa Loa (eye worm) hypothetical protein 0.0046 0.9802 0.9802
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.3977 0.5537

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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