TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.217 | Formula: C14H9FO4
H donors: 1 H acceptors: 4 LogP: 2.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)/C(=C/C1=C(F)C(=O)c2c(C1=O)cccc2)/C
InChi: 1S/C14H9FO4/c1-7(14(18)19)6-10-11(15)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,18,19)/b7-6+
InChiKey: NVBQFYMTJRPSBK-VOTSOKGWSA-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	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	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
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	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
Schistosoma mansoni	ap endonuclease	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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	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
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	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
Wolbachia endosymbiont of Brugia malayi	exonuclease III	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
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	DNA-(apurinic or apyrimidinic site) lyase 2, 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
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
Neospora caninum	hypothetical protein	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
Brugia malayi	exodeoxyribonuclease III family protein	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
Trypanosoma congolense	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
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	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
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	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
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	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
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	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
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	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
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768

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
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0075	0.0331	0.1147
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0447	0.1186
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0331	0.0717
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0447	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0055	0.0071
Schistosoma mansoni	hypothetical protein	0.0034	0.0089	0.0073
Mycobacterium ulcerans	hypothetical protein	0.0075	0.0331	0.7258
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0028	0.0055	0.0722
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0028	0.0055	0.0722
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0089	0.0065
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0095	0.0447	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0089	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0306	0.0814
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.0514	0.1366
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0095	0.0447	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Toxoplasma gondii	propionate-CoA ligase	0.0028	0.0055	0.0721
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.0306	0.668
Echinococcus granulosus	histone lysine methyltransferase setb	0.0095	0.0447	0.0424
Brugia malayi	Pre-SET motif family protein	0.0664	0.3763	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0447	1
Brugia malayi	beta-lactamase family protein	0.0075	0.0331	0.0879
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0284	0.0971
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0095	0.0447	0.0424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0095	0.0447	0.0481
Entamoeba histolytica	hypothetical protein	0.0074	0.0322	0.7053
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0075	0.0331	0.0879
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0664	0.3763	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0055	0.0722
Schistosoma mansoni	hypothetical protein	0.0034	0.0089	0.0073
Brugia malayi	beta-lactamase family protein	0.0075	0.0331	0.0879
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0087	0.0063
Mycobacterium ulcerans	acyl-CoA synthetase	0.0095	0.0447	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0322	0.0299
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0089	0.0236
Mycobacterium leprae	Probable lipase LipE	0.0075	0.0331	0.7045
Entamoeba histolytica	hypothetical protein	0.0074	0.0322	0.7053
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0087	0.0072
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0095	0.0447	0.0424
Plasmodium vivax	acyl-CoA synthetase, putative	0.0071	0.0306	0.6669
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0095	0.0447	1
Brugia malayi	MH2 domain containing protein	0.0034	0.0087	0.0232
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0028	0.0055	0.0114
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0995
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0028	0.0055	0.0722
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0028	0.0055	0.0145
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0331	1
Schistosoma mansoni	smad	0.0034	0.0087	0.0072
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0095	0.0447	1
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0722
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0447	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0331	0.0717
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0306	0.0814
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0331	0.0717
Brugia malayi	MH2 domain containing protein	0.0034	0.0087	0.0232
Onchocerca volvulus		0.0075	0.0331	0.065
Plasmodium falciparum	acyl-CoA synthetase	0.0071	0.0306	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0095	0.0447	0.0481
Mycobacterium leprae	conserved hypothetical protein	0.0075	0.0331	0.7045
Brugia malayi	beta-lactamase	0.0075	0.0331	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0447	0.1186
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0055	0.0114
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0331	0.1147
Onchocerca volvulus		0.0075	0.0331	0.065
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0075	0.0331	0.1147
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0095	0.0447	1
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0721
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0087	0.0063
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0447	1
Schistosoma mansoni	hypothetical protein	0.0074	0.0322	0.0339
Echinococcus multilocularis	Smad4	0.0034	0.0087	0.0063
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0028	0.0055	0.0145
Schistosoma mansoni	cellular tumor antigen P53	0.0254	0.1371	0.1532
Echinococcus granulosus	smad	0.0034	0.0087	0.0063
Mycobacterium ulcerans	lipase LipD	0.0075	0.0331	0.7258
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Onchocerca volvulus		0.0756	0.4298	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0024	0.5
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0028	0.0055	0.1081
Brugia malayi	MH1 domain containing protein	0.0034	0.0087	0.0232
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0087	0.0063
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0028	0.0055	0.0721
Brugia malayi	MH2 domain containing protein	0.0492	0.2762	0.7338
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0028	0.0055	0.0722
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0055	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0447	0.1186
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0306	0.0814
Mycobacterium ulcerans	hypothetical protein	0.0095	0.0447	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0095	0.0447	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Loa Loa (eye worm)	beta-lactamase	0.0075	0.0331	0.0879
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0028	0.0055	0.0722
Schistosoma mansoni	Smad4	0.0034	0.0087	0.0072
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0481	0.2696	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0095	0.0447	0.0481
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0087	0.0232
Brugia malayi	Smad1	0.0034	0.0087	0.0232
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0075	0.0331	0.1147
Mycobacterium tuberculosis	Probable esterase LipL	0.0075	0.0331	0.1147
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0331	0.1147
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0087	0.0072
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0095	0.0447	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0095	0.0447	0.1581
Onchocerca volvulus		0.0075	0.0331	0.065
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0087	0.0232
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0028	0.0055	0.0722
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0087	0.0072
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0024	0.5
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0028	0.0055	0.0031
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0055	0.0071
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0092	0.0427	0.0403
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0055	0.0995
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0055	0.0995
Schistosoma mansoni	acetyl-CoA synthetase	0.0028	0.0055	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0055	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0089	0.0236
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0095	0.0447	0.1581
Onchocerca volvulus		0.0254	0.1371	0.3103
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Brugia malayi	hypothetical protein	0.0074	0.0322	0.0856
Loa Loa (eye worm)	oxidoreductase	0.0028	0.0055	0.0145
Brugia malayi	AMP-binding enzyme family protein	0.0095	0.0447	0.1186
Plasmodium vivax	SET domain protein, putative	0.0095	0.0447	1
Plasmodium vivax	hypothetical protein, conserved	0.0075	0.0331	0.7247
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0028	0.0055	0.0722
Entamoeba histolytica	hypothetical protein	0.0074	0.0322	0.7053
Echinococcus multilocularis	microtubule associated protein 2	0.1531	0.8817	0.8814
Echinococcus granulosus	beta LACTamase domain containing family member	0.0075	0.0331	0.0307
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0331	0.0717
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0087	0.0063
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Brugia malayi	Pre-SET motif family protein	0.0095	0.0447	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0447	0.1188
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0089	0.0065
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0331	0.1147
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0028	0.0055	0.0722
Echinococcus multilocularis	smad	0.0034	0.0087	0.0063
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0055	0.0114
Mycobacterium tuberculosis	Probable lipase LipE	0.0075	0.0331	0.1147
Loa Loa (eye worm)	Smad1	0.0034	0.0087	0.0232
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0331	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0306	0.0814
Echinococcus granulosus	microtubule associated protein 2	0.1531	0.8817	0.8814
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0028	0.0055	0.0114
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0024	0.0064
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0284	0.0971
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0089	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0447	0.1186
Schistosoma mansoni	microtubule-associated protein tau	0.1531	0.8817	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0306	0.0814
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0028	0.0055	0.0722
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0331	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0095	0.0447	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0075	0.0331	0.0879
Loa Loa (eye worm)	MH2 domain-containing protein	0.0492	0.2762	0.7338
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.0514	0.1366
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0032	0.0029
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0028	0.0055	0.0114
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0284	0.0971
Toxoplasma gondii	ABC1 family protein	0.0075	0.0331	0.7247
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0089	0.0065
Mycobacterium ulcerans	esterase/lipase LipP	0.0075	0.0331	0.7258
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0995
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0284	0.0971
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0055	0.0995
Schistosoma mansoni	hypothetical protein	0.0034	0.0089	0.0073
Mycobacterium tuberculosis	Probable hydrolase	0.0075	0.0331	0.1147
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0322	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0447	0.1186
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0055	0.0722
Trichomonas vaginalis	set domain proteins, putative	0.0756	0.4298	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0055	0.0145
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0722
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.0317	0.0843
Trichomonas vaginalis	esterase, putative	0.0075	0.0331	0.0717
Leishmania major	4-coumarate:coa ligase-like protein	0.0095	0.0447	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0024	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1371	0.3644
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0024	0.5
Schistosoma mansoni	hypothetical protein	0.0073	0.0317	0.0333
Onchocerca volvulus		0.0095	0.0447	0.0925
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0071	0.0306	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0028	0.0055	0.0114
Echinococcus granulosus	GPCR family 2	0.0034	0.0089	0.0065
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0331	0.0717
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0028	0.0055	0.0114
Brugia malayi	MH1 domain containing protein	0.0034	0.0087	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Entamoeba histolytica	acyl-coA synthetase, putative	0.0095	0.0447	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0028	0.0055	0.0031
Trypanosoma brucei	hypothetical protein, conserved	0.0075	0.0331	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0095	0.0447	1
Echinococcus granulosus	Smad4	0.0034	0.0087	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0145
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0087	0.0072
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0089	0.0236
Schistosoma mansoni	hypothetical protein	0.0034	0.0089	0.0073
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0028	0.0055	0.0114
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.0514	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0331	0.0879
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0055	0.0995
Entamoeba histolytica	hypothetical protein	0.0074	0.0322	0.7053
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0075	0.0331	0.7258
Mycobacterium ulcerans	beta-lactamase	0.0075	0.0331	0.7258
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0317	0.0843
Mycobacterium tuberculosis	Probable lipase LipD	0.0075	0.0331	0.1147
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0322	0.0339
Leishmania major	hypothetical protein, conserved	0.0075	0.0331	0.7258
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0095	0.0447	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0089	0.0065
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0071	0.0306	0.1056
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.0055	0.0114
Onchocerca volvulus		0.0095	0.0447	0.0923
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0331	0.0349
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0055	0.0722
Loa Loa (eye worm)	transcription factor SMAD2	0.0492	0.2762	0.7338
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0514	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0145
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0028	0.0055	0.0721
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0075	0.0331	0.0307

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 uM	Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA	ChEMBL.	20067291
Inhibition (binding)		Inhibition of Ape1/ref-1 endonuclease activity up to 100 uM	ChEMBL.	20067291

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: CHEMBL570986

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1071245