TDR Targets

Basic information

Technical information

TDR Targets ID: 1555481
Name: N-[(4-fluorophenyl)methyl]-4-indazol-1-yl-4-o xobutanamide
MW: 325.337 | Formula: C18H16FN3O2
H donors: 1 H acceptors: 3 LogP: 2.23 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCc1ccc(cc1)F)CCC(=O)n1ncc2c1cccc2
InChi: 1S/C18H16FN3O2/c19-15-7-5-13(6-8-15)11-20-17(23)9-10-18(24)22-16-4-2-1-3-14(16)12-21-22/h1-8,12H,9-11H2,(H,20,23)
InChiKey: RITLMYMKVUPAPN-UHFFFAOYSA-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

N-[(4-fluorophenyl)methyl]-4-indazol-1-yl-4-oxo-butanamide
N-[(4-fluorophenyl)methyl]-4-(1-indazolyl)-4-oxobutanamide
N-(4-fluorobenzyl)-4-indazol-1-yl-4-keto-butyramide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus multilocularis	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
Brugia malayi	RNA recognition motif domain containing 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
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
Brugia malayi	RNA 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
Echinococcus granulosus	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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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

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
Trypanosoma cruzi	polo-like protein kinase, putative	0.01	0.368	1
Echinococcus multilocularis	zinc finger protein	0.0019	0.0107	0.0291
Brugia malayi	beta-lactamase family protein	0.0038	0.0955	0.1883
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2635	0.7159
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0955	0.1883
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1409	0.3829
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1409	0.2831
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0685	0.1862
Brugia malayi	Bromodomain containing protein	0.0072	0.2457	0.5019
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0955	0.1484
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.004	0.1051	0.2857
Schistosoma mansoni	bromodomain containing protein	0.0061	0.196	0.5327
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0685	0.1415
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Brugia malayi	exodeoxyribonuclease III family protein	0.004	0.1051	0.2084
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0233	0.0633
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.232	0.4733
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2635	0.7159
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0812	0.2207
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2635	0.5441
Brugia malayi	hypothetical protein	0.0027	0.048	0.0891
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.004	0.1051	0.1785
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Toxoplasma gondii	ABC1 family protein	0.0038	0.0955	0.8315
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1409	0.3829
Schistosoma mansoni	hypothetical protein	0.0032	0.0685	0.1862
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.004	0.1051	0.1785
Brugia malayi	PHD-finger family protein	0.0024	0.0333	0.0584
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.004	0.1051	0.1785
Schistosoma mansoni	hypothetical protein	0.0035	0.0812	0.2207
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1409	0.3829
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0955	0.5
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.004	0.1051	1
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.004	0.1051	0.2857
Schistosoma mansoni	kinase	0.0051	0.1515	0.4116
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0685	0.1319
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0801	0.2175
Brugia malayi	Bromodomain containing protein	0.0037	0.0901	0.1769
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2635	0.5441
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2635	0.7159
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.1051	0.0353
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Brugia malayi	MH2 domain containing protein	0.0127	0.4842	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0685	0.1862
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0955	0.1973
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0801	0.2175
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0812	0.2207
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2635	0.7159
Schistosoma mansoni	hypothetical protein	0.002	0.0152	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.3728	0.7674
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2635	0.7159
Leishmania major	hypothetical protein, conserved	0.0038	0.0955	0.1484
Schistosoma mansoni	ap endonuclease	0.004	0.1051	0.2857
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2635	0.7159
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0685	0.1862
Toxoplasma gondii	exonuclease III APE	0.004	0.1051	1
Schistosoma mansoni	zinc finger protein	0.0019	0.0107	0.0291
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0812	0.2207
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.004	0.1051	0.0106
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0955	0.1973
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0026	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0955	0.1484
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.01	0.368	1
Brugia malayi	beta-lactamase	0.0038	0.0955	0.1883
Trypanosoma brucei	polo-like protein kinase	0.01	0.368	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0233	0.0633
Giardia lamblia	Kinase, PLK	0.01	0.368	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.1051	1
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.004	0.1051	0.2171
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.004	0.1051	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0685	0.1319
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1457	0.184
Echinococcus granulosus	GPCR family 2	0.0032	0.0685	0.1862
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.01	0.368	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.01	0.368	0.7573
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.4842	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0685	0.1415
Onchocerca volvulus	Serine\/threonine kinase homolog	0.01	0.368	1
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0955	0.5
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0685	0.1862
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0685	0.1862
Entamoeba histolytica	serine/threonine protein kinase, putative	0.01	0.368	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.1809	0.4914
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0955	0.1484
Schistosoma mansoni	hypothetical protein	0.0069	0.232	0.6304
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1457	0.184
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Brugia malayi	hypothetical protein	0.0035	0.0812	0.1584
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2635	0.539
Schistosoma mansoni	ap endonuclease	0.004	0.1051	0.2857
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0955	0.8315
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0152	0.0314
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1409	0.291
Brugia malayi	RNA binding protein	0.0076	0.2635	0.539
Trypanosoma cruzi	polo-like protein kinase, putative	0.01	0.368	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.4842	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0685	0.1862
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.3728	0.7674
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0955	0.2596
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1409	0.3829
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0955	0.1973
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.1051	0.0353
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1409	0.3829
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0233	0.0633
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1409	0.3829
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0955	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2276	0.47
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.01	0.368	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.3728	0.77
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2635	0.5441
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.01	0.368	0.76
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.004	0.1051	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1085	0.2241
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.3728	0.77
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2635	0.7159
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.1809	0.4914
Loa Loa (eye worm)	hypothetical protein	0.0027	0.048	0.0992
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0955	0.2596
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0685	0.1862
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.004	0.1051	0.1785
Loa Loa (eye worm)	hypothetical protein	0.0069	0.232	0.4791
Brugia malayi	beta-lactamase family protein	0.0038	0.0955	0.1883
Treponema pallidum	exodeoxyribonuclease (exoA)	0.004	0.1051	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.1051	1
Echinococcus granulosus	zinc finger protein	0.0019	0.0107	0.0291
Brugia malayi	TAR-binding protein	0.0076	0.2635	0.539
Schistosoma mansoni	hypothetical protein	0.0032	0.0685	0.1862
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1004	0.2074
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0955	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0904	0.1867
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1409	0.3829
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.368	1
Schistosoma mansoni	serine/threonine protein kinase	0.01	0.368	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	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

ChEMBL: CHEMBL1881655

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 1555481