Detailed information for compound 536697

Basic information

Technical information
  • TDR Targets ID: 536697
  • Name: 3-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4H -imidazo[1,5-a][1,4]benzodiazepin-6-one
  • MW: 299.3 | Formula: C16H14FN3O2
  • H donors: 0 H acceptors: 3 LogP: 1.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)C1CC1
  • InChi: 1S/C16H14FN3O2/c1-19-7-13-14(15(21)9-2-3-9)18-8-20(13)12-5-4-10(17)6-11(12)16(19)22/h4-6,8-9H,2-3,7H2,1H3
  • InChiKey: SURBTMORCCCDDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[cyclopropyl(oxo)methyl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
  • 3-cyclopropylcarbonyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
  • RU 34030
  • 3-(cyclopropyl-oxomethyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
  • 122321-07-7
  • 6H-Imidazo(1,5-a)(1,4)benzodiazepin-6-one, 3-(cyclopropylcarbonyl)-8-fluoro-4,5-dihydro-5-methyl-
  • RU-34030

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
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0025 0.0375 0.0375
Schistosoma mansoni hypothetical protein 0.004 0.127 0.127
Leishmania major trypanothione reductase 0.0052 0.2004 0.2004
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0156 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.5932 0.8837
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0189 1 1
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0375 0.0375
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.6712 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0156 0.0472
Brugia malayi DNA polymerase alpha catalytic subunit 0.0025 0.0375 0.0375
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0025 0.0375 0.0375
Trichomonas vaginalis DNA polymerase II, putative 0.0025 0.0375 0.0375
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0025 0.0375 0.1139
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0189 1 1
Plasmodium falciparum thioredoxin reductase 0.0052 0.2004 0.6081
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0156 0.0472
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0025 0.0375 0.0375
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0189 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0156 0.0156
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0375 0.0375
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0075 0.3295 0.3189
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0025 0.0375 0.0375
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0156 0.0156
Schistosoma mansoni ap endonuclease 0.0021 0.0156 0.0156
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0075 0.3295 0.3295
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0025 0.0375 0.0375
Loa Loa (eye worm) hypothetical protein 0.0025 0.0375 0.0223
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.2004 0.1877
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.5932 0.8837
Schistosoma mansoni hypothetical protein 0.0038 0.1145 0.1145
Entamoeba histolytica hypothetical protein 0.004 0.127 0.1133
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0075 0.3295 0.3295
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0025 0.0375 0.0375
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0375 0.0375
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0025 0.0375 0.1139
Trichomonas vaginalis conserved hypothetical protein 0.0189 1 1
Brugia malayi DNA polymerase family B containing protein 0.0025 0.0375 0.0375
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0375 0.0375
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0189 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2166 0.2042
Toxoplasma gondii DNA polymerase 0.0075 0.3295 1
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0025 0.0375 0.0375
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0025 0.0375 0.0375
Entamoeba histolytica hypothetical protein 0.004 0.127 0.1133
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.2004 0.2004
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0061 0.2497 0.2497
Plasmodium falciparum glutathione reductase 0.0052 0.2004 0.6081
Brugia malayi hypothetical protein 0.004 0.127 0.127
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0156 0.0232
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.2166 0.2042
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0189 1 1
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0025 0.0375 0.0375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.5932 0.8837
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0025 0.0375 0.1139
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0075 0.3295 0.3295
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.127 0.127
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0156 0.0156
Entamoeba histolytica hypothetical protein 0.004 0.127 0.1133
Toxoplasma gondii DNA polymerase family B protein 0.0025 0.0375 0.1139
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0156 0.0156
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.5932 0.8837
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0156 0.0156
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0375 0.0375
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0075 0.3295 1
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0025 0.0375 0.0375
Schistosoma mansoni transcription factor LCR-F1 0.004 0.127 0.127
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1145 0.1145
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.127 0.127
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0156 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0 0.5
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0025 0.0375 0.0375
Schistosoma mansoni ap endonuclease 0.0021 0.0156 0.0156
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0075 0.3295 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0156 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0189 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0156 0.0156
Plasmodium vivax glutathione reductase, putative 0.0052 0.2004 0.6081
Brugia malayi glutathione reductase 0.0052 0.2004 0.2004
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.2004 0.2004
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.2004 0.2004
Toxoplasma gondii thioredoxin reductase 0.0052 0.2004 0.6081
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.6712 1
Entamoeba histolytica hypothetical protein 0.004 0.127 0.1133
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0075 0.3295 0.3295
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0075 0.3295 0.3295
Schistosoma mansoni hypothetical protein 0.0188 0.9926 0.9926
Trypanosoma brucei trypanothione reductase 0.0052 0.2004 0.2004
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0189 1 1
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0075 0.3295 0.3295
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.2004 0.6081
Echinococcus granulosus geminin 0.0188 0.9926 0.9926
Schistosoma mansoni hypothetical protein 0.0188 0.9926 0.9926
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0075 0.3295 0.3295
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0375 0.0375
Echinococcus multilocularis geminin 0.0188 0.9926 0.9926
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.2166 0.2166
Loa Loa (eye worm) hypothetical protein 0.0038 0.1145 0.1005
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0189 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.5932 0.8837
Echinococcus granulosus ubiquitin specific protease 41 0.0189 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.2166 0.2166
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.6712 1
Plasmodium vivax DNA polymerase alpha, putative 0.0025 0.0375 0.1139
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0156 0.0156
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0156 0.0472
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0189 1 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0189 1 1
Loa Loa (eye worm) glutathione reductase 0.0052 0.2004 0.1877
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0189 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0156 0.0156
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0156 0.0156
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0189 1 1
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0375 0.0375
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0189 1 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0189 1 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0075 0.3295 0.3189
Brugia malayi DNA polymerase delta catalytic subunit 0.0075 0.3295 0.3295
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0025 0.0375 0.0375
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0375 0.0375
Brugia malayi Thioredoxin reductase 0.0052 0.2004 0.2004
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.2004 0.2985
Mycobacterium tuberculosis Probable reductase 0.012 0.5932 0.8837
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0025 0.0375 0.0375
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0189 1 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0075 0.3295 1
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0025 0.0375 0.0375
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.6712 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0075 0.3295 0.3295

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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