Detailed information for compound 1628430

Basic information

Technical information
  • TDR Targets ID: 1628430
  • Name: N-(2-bromophenyl)-N'-[(2-chloro-6-fluoropheny l)methylideneamino]pentanediamide
  • MW: 440.694 | Formula: C18H16BrClFN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.69 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N/N=C/c1c(F)cccc1Cl)CCCC(=O)Nc1ccccc1Br
  • InChi: 1S/C18H16BrClFN3O2/c19-13-5-1-2-8-16(13)23-17(25)9-4-10-18(26)24-22-11-12-14(20)6-3-7-15(12)21/h1-3,5-8,11H,4,9-10H2,(H,23,25)(H,24,26)/b22-11+
  • InChiKey: WOXNLJQLRVJZOG-SSDVNMTOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-bromophenyl)-N'-[(2-chloro-6-fluoro-phenyl)methyleneamino]pentanediamide
  • N-(2-bromophenyl)-N'-[(2-chloro-6-fluorophenyl)methyleneamino]pentanediamide
  • N-(2-bromophenyl)-N'-[(2-chloro-6-fluoro-benzylidene)amino]glutaramide
  • N-(2-bromophenyl)-N'-[(2-chloro-6-fluoro-phenyl)methylideneamino]pentanediamide
  • BAS 00313380

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0494 0.131 0.1698
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1978 0.545 1
Trichomonas vaginalis conserved hypothetical protein 0.0494 0.131 0.1698
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.1787 0.4918 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.3608 1 1
Echinococcus multilocularis geminin 0.0205 0.0502 0.0283
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1483 0.4071 0.7235
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.1293 0.3539 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0191 0.0463 0.1308
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1978 0.545 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0191 0.0463 0.0463
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Toxoplasma gondii hypothetical protein 0.0494 0.131 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0685 0.1842 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.0463 0.0463
Schistosoma mansoni hypothetical protein 0.0205 0.0502 0.0041
Mycobacterium ulcerans putative regulatory protein 0.0494 0.131 0.2663
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0685 0.1842 1
Trypanosoma brucei hypothetical protein, conserved 0.0191 0.0463 0.1308
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1978 0.545 1
Giardia lamblia Hypothetical protein 0.0191 0.0463 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Giardia lamblia hypothetical protein 0.0191 0.0463 0.5
Leishmania major cAMP-specific phosphodiesterase, putative 0.0191 0.0463 0.1308
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Loa Loa (eye worm) hypothetical protein 0.0191 0.0463 0.0463
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0685 0.1842 0.5204
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1483 0.4071 0.7235
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0191 0.0463 0.0463
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0191 0.0463 0.5
Loa Loa (eye worm) PDE1B protein 0.0191 0.0463 0.0463
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0191 0.0463 0.1308
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.1787 0.4918 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0685 0.1842 0.5204
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0191 0.0463 0.0463
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0191 0.0463 0.1308
Echinococcus granulosus geminin 0.0205 0.0502 0.0283
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0685 0.1842 0.5204
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0191 0.0463 0.1308
Trichomonas vaginalis conserved hypothetical protein 0.1978 0.545 1
Plasmodium vivax hypothetical protein, conserved 0.0494 0.131 1
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.1293 0.3539 1
Trichomonas vaginalis conserved hypothetical protein 0.0494 0.131 0.1698
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0685 0.1842 1
Trichomonas vaginalis conserved hypothetical protein 0.0494 0.131 0.1698
Plasmodium falciparum GAF domain-related protein, putative 0.0494 0.131 1
Mycobacterium leprae conserved hypothetical protein 0.0494 0.131 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0685 0.1842 0.2765
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0685 0.1842 0.1446
Toxoplasma gondii hypothetical protein 0.0494 0.131 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.1293 0.3539 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0685 0.1842 0.5204
Loa Loa (eye worm) hypothetical protein 0.3608 1 1
Loa Loa (eye worm) hypothetical protein 0.0494 0.131 0.131
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Loa Loa (eye worm) hypothetical protein 0.0191 0.0463 0.0463
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0191 0.0463 0.1308
Toxoplasma gondii GAF domain-containing protein 0.0494 0.131 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0191 0.0463 0.1308
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Leishmania major hypothetical protein, conserved 0.0191 0.0463 0.1308
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0685 0.1842 0.5204
Leishmania major hypothetical protein, conserved 0.0191 0.0463 0.1308
Toxoplasma gondii hypothetical protein 0.0494 0.131 1
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Schistosoma mansoni hypothetical protein 0.0205 0.0502 0.0041
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0191 0.0463 0.1308
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0685 0.1842 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0191 0.0463 0.1308
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0191 0.0463 0.1308
Mycobacterium tuberculosis Conserved hypothetical protein 0.1293 0.3539 0.6179
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0685 0.1842 0.2765
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.0463 0.1308
Leishmania major hypothetical protein, conserved 0.1293 0.3539 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0191 0.0463 0.0463
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0191 0.0463 0.1308
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0191 0.0463 0.0463
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0685 0.1842 0.1842
Mycobacterium ulcerans putative regulatory protein 0.0494 0.131 0.2663

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.15 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3981 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 52.1194 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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