Detailed information for compound 796938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.47 | Formula: C26H22FN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1c2ccccc2C(=O)N(C1c1cn(c2c1cccc2)C)C)Nc1ccccc1F
  • InChi: 1S/C26H22FN3O2/c1-29-15-19(16-9-5-8-14-22(16)29)24-23(25(31)28-21-13-7-6-12-20(21)27)17-10-3-4-11-18(17)26(32)30(24)2/h3-15,23-24H,1-2H3,(H,28,31)
  • InChiKey: BOFKSVNOKBWVOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0418 0.1301
Schistosoma mansoni kinesin eg-5 0.0027 0.016 0.016
Giardia lamblia Kinesin-5 0.0027 0.016 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0058 0.1078
Loa Loa (eye worm) hypothetical protein 0.003 0.0198 0.0618
Loa Loa (eye worm) glutathione reductase 0.0048 0.0467 0.1454
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0354 0.0354
Onchocerca volvulus 0.003 0.0206 0.0461
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0058 0.0058
Echinococcus multilocularis RUN 0.002 0.0058 0.0058
Toxoplasma gondii kinesin motor domain-containing protein 0.0027 0.016 0.3314
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0178 0.3694
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0058 0.0058
Leishmania major hypothetical protein, conserved 0.004 0.0354 0.5201
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0354 0.7549
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.3209 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0467 0.1454
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0354 0.1104
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1365 0.3855
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0008 0.5
Loa Loa (eye worm) beta-lactamase 0.004 0.0354 0.1104
Brugia malayi Pre-SET motif family protein 0.0211 0.2852 0.8887
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.1544 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0354 0.0983
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0223 0.0694
Brugia malayi hypothetical protein 0.002 0.0058 0.018
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0223 0.0223
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.2852 0.8887
Plasmodium vivax kinesin-5 0.0027 0.016 0.3314
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0178 0.3694
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0673 1
Brugia malayi beta-lactamase family protein 0.004 0.0354 0.1104
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0354 0.7549
Brugia malayi Pre-SET motif family protein 0.003 0.0208 0.0648
Schistosoma mansoni hypothetical protein 0.0031 0.0223 0.0223
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0208 0.0208
Toxoplasma gondii ABC1 family protein 0.004 0.0354 0.7549
Schistosoma mansoni hypothetical protein 0.0068 0.0754 0.0754
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0008 0.0026
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0354 0.0983
Brugia malayi glutathione reductase 0.0048 0.0467 0.1454
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1365 0.3855
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0208 0.0208
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0354 0.0983
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0206 0.0643
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0354 0.0354
Loa Loa (eye worm) kinesin-like protein KLP2 0.0027 0.016 0.0499
Schistosoma mansoni polycystin 1-related 0.002 0.0058 0.0058
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.3209 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0223 0.0694
Mycobacterium tuberculosis Conserved protein 0.004 0.0354 0.0983
Mycobacterium ulcerans lipase LipD 0.004 0.0354 0.5201
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0208 0.4358
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0354 0.1058
Onchocerca volvulus 0.004 0.0354 0.092
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Schistosoma mansoni lamin 0.003 0.0206 0.0206
Echinococcus granulosus lamin 0.003 0.0206 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0418 0.0418
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0058 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0754 0.2349
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0208 0.0208
Brugia malayi intermediate filament protein 0.003 0.0206 0.0643
Mycobacterium tuberculosis Probable reductase 0.0109 0.1365 0.3855
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0354 0.1058
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.003 0.0206 0.0643
Mycobacterium ulcerans hypothetical protein 0.004 0.0354 0.5201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0418 0.0418
Plasmodium falciparum glutathione reductase 0.0048 0.0467 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0673 0.0673
Schistosoma mansoni rab6-interacting 0.002 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.002 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0181 0.241 0.241
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Schistosoma mansoni lipoxygenase 0.002 0.0058 0.0058
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0354 0.1058
Treponema pallidum NADH oxidase 0.0017 0.0008 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.3528 1
Brugia malayi Kinesin motor domain containing protein 0.0027 0.016 0.0499
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0559 0.1742
Onchocerca volvulus 0.003 0.0206 0.0461
Trichomonas vaginalis esterase, putative 0.004 0.0354 0.1058
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0584 0.0584
Echinococcus granulosus kinesin family 1 0.0208 0.2805 0.2805
Schistosoma mansoni hypothetical protein 0.0031 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.018
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0354 0.0354
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1365 0.3855
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0178 0.3694
Loa Loa (eye worm) doublecortin family protein 0.002 0.0058 0.018
Onchocerca volvulus 0.003 0.0208 0.0466
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0467 0.0467
Brugia malayi hypothetical protein 0.0028 0.0178 0.0554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0418 0.0418
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0418 0.1301
Echinococcus multilocularis lamin 0.003 0.0206 0.0206
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0223 0.0223
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0002 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0418 0.0418
Echinococcus multilocularis musashi 0.003 0.0206 0.0206
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0354 0.0354
Brugia malayi hypothetical protein 0.002 0.0058 0.018
Mycobacterium tuberculosis Conserved protein 0.004 0.0354 0.0983
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0208 0.0208
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0178 0.3694
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1211 0.3774
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0673 0.0673
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0354 0.0983
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0418 0.0418
Echinococcus granulosus RUN 0.002 0.0058 0.0058
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0058 0.0058
Mycobacterium ulcerans beta-lactamase 0.004 0.0354 0.5201
Plasmodium vivax hypothetical protein, conserved 0.004 0.0354 0.7549
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1365 0.3855
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0178 0.3694
Onchocerca volvulus 0.004 0.0354 0.092
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0354 0.1058
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0354 0.5201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1211 0.3774
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0418 0.0418
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0354 0.0983
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0208 0.0208
Schistosoma mansoni rab6-interacting 0.002 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0031 0.0223 0.0694
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0223 0.0223
Brugia malayi Thioredoxin reductase 0.0048 0.0467 0.1454
Leishmania major trypanothione reductase 0.0048 0.0467 0.689
Toxoplasma gondii thioredoxin reductase 0.0048 0.0467 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0008 0.0008
Plasmodium vivax glutathione reductase, putative 0.0048 0.0467 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0223 0.0694
Schistosoma mansoni hypothetical protein 0.0031 0.0223 0.0223
Schistosoma mansoni hypothetical protein 0.0333 0.4638 0.4638
Schistosoma mansoni intermediate filament proteins 0.003 0.0206 0.0206
Plasmodium falciparum kinesin-5 0.0027 0.016 0.3314
Loa Loa (eye worm) intermediate filament protein 0.003 0.0206 0.0643
Plasmodium falciparum thioredoxin reductase 0.0048 0.0467 1
Plasmodium vivax SET domain protein, putative 0.003 0.0208 0.4358
Echinococcus multilocularis microtubule associated protein 2 0.07 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0754 0.2349
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0467 0.0467
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0008 0.0008
Echinococcus granulosus ankyrin repeat protein 0.0156 0.2048 0.2048
Echinococcus multilocularis lamin dm0 0.003 0.0206 0.0206
Echinococcus multilocularis ankyrin repeat protein 0.0156 0.2048 0.2048
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0673 0.189
Trypanosoma brucei trypanothione reductase 0.0048 0.0467 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0673 0.2099
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.1544 0.4362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0418 0.0418
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0673 0.0673
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0178 0.3694
Echinococcus multilocularis transient receptor potential cation channel 0.0161 0.2121 0.2121
Loa Loa (eye worm) hypothetical protein 0.003 0.0208 0.0648
Echinococcus granulosus GPCR family 2 0.0031 0.0223 0.0223
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0058 0.1078
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1365 0.8499
Brugia malayi MH2 domain containing protein 0.0236 0.3209 1
Echinococcus granulosus transient receptor potential cation channel 0.0161 0.2118 0.2118
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.1104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0208 0.0208
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0156 0.2048 0.2048
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0354 0.7549
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0584 0.0584
Echinococcus multilocularis GPCR, family 2 0.0031 0.0223 0.0223
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0008 0.0008
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0058 0.0058
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0354 0.5201
Loa Loa (eye worm) hypothetical protein 0.0028 0.0178 0.0554
Schistosoma mansoni hypothetical protein 0.0031 0.0223 0.0223
Entamoeba histolytica kinesin, putative 0.0027 0.016 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0008 0.5
Schistosoma mansoni lipoxygenase 0.0056 0.0584 0.0584
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0208 0.0208
Echinococcus granulosus lamin dm0 0.003 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.0058 0.018
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.1544 0.4362
Onchocerca volvulus 0.004 0.0354 0.092
Brugia malayi Doublecortin family protein 0.002 0.0058 0.018
Schistosoma mansoni loxhd1 0.002 0.0058 0.0058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0223 0.0223
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0354 0.0983
Trichomonas vaginalis set domain proteins, putative 0.024 0.3278 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0354 0.1058
Echinococcus multilocularis kinesin family 1 0.0208 0.2805 0.2805
Echinococcus granulosus intermediate filament protein 0.003 0.0206 0.0206
Onchocerca volvulus 0.0241 0.3282 1
Schistosoma mansoni microtubule-associated protein tau 0.07 1 1
Echinococcus granulosus geminin 0.0333 0.4638 0.4638
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0008 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0178 0.3694
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0467 1
Brugia malayi hypothetical protein 0.0018 0.0032 0.0098
Brugia malayi beta-lactamase family protein 0.004 0.0354 0.1104
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0206 0.0643
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0467 1
Schistosoma mansoni lamin 0.003 0.0206 0.0206
Leishmania major hypothetical protein, conserved 0.0028 0.0178 0.2546
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1365 0.3855
Mycobacterium tuberculosis Conserved protein 0.004 0.0354 0.0983
Echinococcus multilocularis geminin 0.0333 0.4638 0.4638
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.1544 0.4362
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0354 0.1104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1211 0.3774
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0673 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1211 0.3774
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0673 1
Schistosoma mansoni hypothetical protein 0.0333 0.4638 0.4638
Brugia malayi beta-lactamase 0.004 0.0354 0.1104
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0058 0.0058
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0354 0.0983
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0467 0.1302

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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