Detailed information for compound 1479433

Basic information

Technical information
  • TDR Targets ID: 1479433
  • Name: 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-2H-py rimido[2,1-b]benzimidazol-10-yl)ethanone
  • MW: 376.271 | Formula: C16H14BrN3OS
  • H donors: 0 H acceptors: 1 LogP: 3.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(s1)C(=O)Cn1c2=NCCCn2c2c1cccc2
  • InChi: 1S/C16H14BrN3OS/c17-15-7-6-14(22-15)13(21)10-20-12-5-2-1-4-11(12)19-9-3-8-18-16(19)20/h1-2,4-7H,3,8-10H2
  • InChiKey: PQUPNCWNSVVOQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(5-bromo-2-thienyl)-2-(3,4-dihydro-2H-pyrimido[2,1-b]benzimidazol-10-yl)ethanone
  • BAS 00631276
  • STK073776
  • ChemDiv3_001485
  • AG-690/37071318
  • EU-0005616
  • IDI1_020451
  • 1-(5-Bromo-2-thienyl)-2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)ethanone
  • Ethanone, 1-(5-bromo-2-thienyl)-2-(2,3,4,10-tetrahydro-pyrimido[1,2-a]benzimidazol-10-yl)-

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 brucei importin beta-1 subunit, putative 0.0035 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.1408 0.1408
Brugia malayi EGF-like domain containing protein 0.0047 0.0195 0.0195
Echinococcus granulosus intermediate filament protein 0.0033 0.0093 0.0121
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0025 0.0033
Echinococcus multilocularis carboxylesterase 5A 0.1133 0.7698 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0045 0.416
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0284 0.0284
Schistosoma mansoni BC026374 protein (S09 family) 0.0191 0.1191 0.1548
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0191 0.1191 1
Giardia lamblia hypothetical protein 0.0047 0.0195 1
Echinococcus multilocularis acetylcholinesterase 0.1133 0.7698 1
Brugia malayi Kelch motif family protein 0.0223 0.1408 0.1408
Onchocerca volvulus 0.0191 0.1191 1
Schistosoma mansoni ap endonuclease 0.0023 0.0025 0.0033
Echinococcus multilocularis BC026374 protein (S09 family) 0.0191 0.1191 0.1548
Schistosoma mansoni lamin 0.0033 0.0093 0.0121
Mycobacterium ulcerans carboxylesterase, LipT 0.0191 0.1191 1
Entamoeba histolytica Ran family GTPase 0.0026 0.0045 0.5279
Echinococcus multilocularis para nitrobenzyl esterase 0.0191 0.1191 0.1548
Brugia malayi RNA, U transporter 1 0.0099 0.0553 0.0553
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0045 0.0045
Leishmania major GTP-binding protein, putative 0.0026 0.0045 0.7152
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0153 0.0153
Echinococcus multilocularis integrin beta 2 0.1086 0.7374 0.9579
Schistosoma mansoni integrin beta subunit 0.0863 0.5834 0.7579
Brugia malayi EGF-like domain containing protein 0.0047 0.0195 0.0195
Echinococcus multilocularis adam 0.0047 0.0195 0.0253
Echinococcus granulosus BC026374 protein S09 family 0.0191 0.1191 0.1548
Echinococcus multilocularis snurportin 1 0.0372 0.2437 0.3166
Brugia malayi Carboxylesterase family protein 0.1133 0.7698 0.7698
Loa Loa (eye worm) acetylcholinesterase 1 0.1133 0.7698 0.7698
Schistosoma mansoni neuroligin 3 (S09 family) 0.0191 0.1191 0.1548
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Giardia lamblia Neurogenic locus Notch protein precursor 0.0047 0.0195 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0045 0.1189
Giardia lamblia High cysteine protein 0.0047 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0089 0.0089
Schistosoma mansoni ran 0.0026 0.0045 0.0059
Echinococcus granulosus para nitrobenzyl esterase 0.0191 0.1191 0.1548
Onchocerca volvulus 0.0191 0.1191 1
Echinococcus granulosus fibrillin 1 0.0047 0.0195 0.0253
Plasmodium falciparum importin beta, putative 0.0035 0.0109 1
Brugia malayi EGF-like domain containing protein 0.0047 0.0195 0.0195
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0025 0.0211
Brugia malayi Carboxylesterase family protein 0.0191 0.1191 0.1191
Loa Loa (eye worm) carboxylesterase 0.0191 0.1191 0.1191
Plasmodium vivax importin-beta 2, putative 0.0035 0.0109 1
Brugia malayi intermediate filament protein 0.0033 0.0093 0.0093
Giardia lamblia Neurogenic locus notch-like protein 0.0047 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0153 0.0153
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0045 0.0059
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0045 0.7152
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0025 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0047 0.0195 0.0195
Schistosoma mansoni gliotactin 0.0191 0.1191 0.1548
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0025 0.2307
Schistosoma mansoni ap endonuclease 0.0023 0.0025 0.0033
Echinococcus granulosus lamin 0.0033 0.0093 0.0121
Echinococcus multilocularis neuroligin 0.0191 0.1191 0.1548
Onchocerca volvulus 0.0047 0.0195 0.0924
Echinococcus multilocularis acetylcholinesterase 0.1133 0.7698 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0045 0.2325
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0284 0.0284
Echinococcus granulosus adam 0.0047 0.0195 0.0253
Giardia lamblia Tenascin-X 0.0047 0.0195 1
Giardia lamblia Tenascin-37 0.0047 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0191 0.1191 1
Echinococcus multilocularis fibrillin 2 0.0047 0.0195 0.0253
Giardia lamblia High cysteine protein 0.0047 0.0195 1
Echinococcus granulosus acetylcholinesterase 0.1133 0.7698 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Loa Loa (eye worm) hypothetical protein 0.1133 0.7698 0.7698
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0191 0.1191 1
Echinococcus granulosus integrin beta 2 0.1086 0.7374 0.9579
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0025 0.3967
Echinococcus granulosus fibrillin 2 0.0047 0.0195 0.0253
Echinococcus granulosus importin subunit beta 1 0.0035 0.0109 0.0142
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0191 0.1191 0.1548
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0284 0.0284
Entamoeba histolytica hypothetical protein 0.0028 0.0063 1
Loa Loa (eye worm) carboxylesterase 0.1133 0.7698 0.7698
Loa Loa (eye worm) hypothetical protein 0.006 0.0284 0.0284
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0025 0.2307
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.0109
Brugia malayi Carboxylesterase family protein 0.1133 0.7698 0.7698
Echinococcus granulosus snurportin 1 0.0372 0.2437 0.3166
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0191 0.1191 0.1548
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0025 0.5
Loa Loa (eye worm) carboxylesterase 0.0191 0.1191 0.1191
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Echinococcus granulosus lamin dm0 0.0033 0.0093 0.0121
Echinococcus granulosus acetylcholinesterase 0.1133 0.7698 1
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0047 0.0195 0.1454
Brugia malayi Carboxylesterase family protein 0.0191 0.1191 0.1191
Echinococcus multilocularis fibrillin 1 0.0047 0.0195 0.0253
Brugia malayi EGF-like domain containing protein 0.0047 0.0195 0.0195
Brugia malayi Carboxylesterase family protein 0.0191 0.1191 0.1191
Leishmania major importin beta-1 subunit, putative 0.0028 0.0063 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0063 0.0327
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0063 0.0327
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0045 0.0045
Echinococcus multilocularis musashi 0.0033 0.0093 0.0121
Mycobacterium tuberculosis Carboxylesterase LipT 0.0191 0.1191 1
Giardia lamblia Tenascin-like 0.0047 0.0195 1
Toxoplasma gondii hypothetical protein 0.0047 0.0195 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0109 0.0142
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0025 0.3967
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0025 0.0025
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0191 0.1191 0.1548
Brugia malayi hypothetical protein 0.0223 0.1408 0.1408
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0223 0.1408 0.1408
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0025 0.2307
Onchocerca volvulus 0.0191 0.1191 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1133 0.7698 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0109 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0025 0.3967
Loa Loa (eye worm) hypothetical protein 0.0047 0.0195 0.0195
Echinococcus granulosus carboxylesterase 5A 0.1133 0.7698 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0025 0.0033
Loa Loa (eye worm) hypothetical protein 0.0191 0.1191 0.1191
Trichomonas vaginalis spcc417.12 protein, putative 0.0191 0.1191 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0195 0.0195
Giardia lamblia Tenascin precursor 0.0047 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.1133 0.7698 0.7698
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0045 0.416
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0063 1
Schistosoma mansoni lamin 0.0033 0.0093 0.0121
Onchocerca volvulus 0.0191 0.1191 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0109 0.5589
Loa Loa (eye worm) hypothetical protein 0.0033 0.0093 0.0093
Trichomonas vaginalis ran, putative 0.0026 0.0045 0.0173
Echinococcus multilocularis lamin 0.0033 0.0093 0.0121
Echinococcus multilocularis lamin dm0 0.0033 0.0093 0.0121
Loa Loa (eye worm) integrin beta-2 0.1466 1 1
Schistosoma mansoni acetylcholinesterase 0.0191 0.1191 0.1548
Schistosoma mansoni hypothetical protein 0.0372 0.2437 0.3166
Toxoplasma gondii exonuclease III APE 0.0023 0.0025 0.129
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0063 0.0327
Onchocerca volvulus 0.0191 0.1191 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0191 0.1191 0.1548
Schistosoma mansoni intermediate filament proteins 0.0033 0.0093 0.0121
Brugia malayi Importin beta-1 subunit 0.0035 0.0109 0.0109
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2437 0.2437
Schistosoma mansoni importin beta-1 0.0035 0.0109 0.0142
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0093 0.0093
Schistosoma mansoni ran 0.0026 0.0045 0.0059
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0045 0.7152
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0045 0.0059
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0045 0.416
Brugia malayi hypothetical protein 0.0191 0.1191 0.1191
Echinococcus multilocularis protein jagged 2 0.0047 0.0195 0.0253
Brugia malayi Carboxylesterase family protein 0.0191 0.1191 0.1191
Trichomonas vaginalis hypothetical protein 0.0047 0.0195 0.1454
Loa Loa (eye worm) hypothetical protein 0.0047 0.0195 0.0195
Echinococcus granulosus neuroligin 0.0191 0.1191 0.1548
Schistosoma mansoni hypothetical protein 0.0041 0.0153 0.0198
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0093 0.0093
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0191 0.1191 0.1548

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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