TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.753 | Formula: C19H13ClF4O
H donors: 0 H acceptors: 1 LogP: 5.08 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C[C@@H](CC(=C1)c1ccc(c(c1)C(F)(F)F)Cl)c1ccc(cc1)F
InChi: 1S/C19H13ClF4O/c20-18-6-3-12(10-17(18)19(22,23)24)14-7-13(8-16(25)9-14)11-1-4-15(21)5-2-11/h1-6,9-10,13H,7-8H2/t13-/m1/s1
InChiKey: RCDXCGUUNCYXNF-CYBMUJFWSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.2458	1
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0445	0.0582
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.2458	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0206	0.0839
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.3357	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.4306	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0445	0.0582
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.3192	0.7284
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0445	0.0582
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0445	0.0582
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0445	0.0757
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.4306	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.2458	0.5492
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.6872	0.8837
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.2458	0.2985
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.6872	0.8837
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.4306	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.7749	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0445	0.0582
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0445	0.0757
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.3357	1
Leishmania major	DNA polymerase eta, putative	0.0021	0.0445	0.0757
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4306	0.4186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.006	0.3192	0.9478
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Echinococcus granulosus	dna polymerase eta	0.0021	0.0445	0.0582
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0445	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.006	0.3192	0.3049
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0445	0.1809
Plasmodium falciparum	thioredoxin reductase	0.005	0.2458	1
Brugia malayi	RNA binding protein	0.0076	0.4306	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0445	0.0316
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.3357	0.3217
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0445	0.0243
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0445	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0206	0.0839
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.3357	0.7685
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.3192	0.9478
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0445	0.1809
Trypanosoma brucei	trypanothione reductase	0.005	0.2458	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.6872	0.8837
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0445	0.1059
Leishmania major	trypanothione reductase	0.005	0.2458	0.7146
Plasmodium falciparum	glutathione reductase	0.005	0.2458	1
Trypanosoma brucei	unspecified product	0.0021	0.0445	0.1809
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0206	0.5
Brugia malayi	glutathione reductase	0.005	0.2458	0.5492
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0445	0.1809
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.3357	0.3217
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.4306	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0445	0.1809
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0445	0.0243
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4306	0.4186
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.6872	0.8837
Loa Loa (eye worm)	glutathione reductase	0.005	0.2458	0.5213
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0445	0.1059
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.3192	0.9478
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0445	0.1059
Echinococcus granulosus	tar DNA binding protein	0.0076	0.4306	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0445	0.0316
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.2458	0.5492
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.3192	0.7284
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0126	0.7749	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.6872	0.8837
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0445	0.1059
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0445	0.0582
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.2458	0.5213
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0445	0.0757
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0126	0.7749	1
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0445	0.0582
Mycobacterium tuberculosis	Probable reductase	0.0114	0.6872	0.8837
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.006	0.3192	0.3959
Toxoplasma gondii	thioredoxin reductase	0.005	0.2458	0.7146
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4306	0.4186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.3357	0.4177
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0206	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.3357	1
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0445	0.0243
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0445	1
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0445	0.0757
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0126	0.7749	1
Treponema pallidum	NADH oxidase	0.0017	0.0206	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0445	0.1059
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0445	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.3357	0.7685
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0206	0.0839
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4306	0.4186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0445	0.1809
Plasmodium vivax	glutathione reductase, putative	0.005	0.2458	1
Brugia malayi	Thioredoxin reductase	0.005	0.2458	0.5492
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.4306	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0206	0.0839
Brugia malayi	TAR-binding protein	0.0076	0.4306	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.3357	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.3357	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.3192	0.7284
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0206	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4306	0.4186
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.2911	0.6387

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.5849 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1357619

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1203206