TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.315 | Formula: C17H15F2N3O5
H donors: 2 H acceptors: 5 LogP: 2.63 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(N(C(=O)Nc1ccc(cc1F)F)Cc1ccc(cc1)[N+](=O)[O-])C
InChi: 1S/C17H15F2N3O5/c1-10(16(23)24)21(9-11-2-5-13(6-3-11)22(26)27)17(25)20-15-7-4-12(18)8-14(15)19/h2-8,10H,9H2,1H3,(H,20,25)(H,23,24)
InChiKey: WKMQFZVGKFJKRI-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Clostridium perfringens (strain 13 / Type A)	Microbial collagenase	Starlite/ChEMBL	References

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	integrin alpha ps	0.0216	0.1525	0.2072
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0615	0.0615
Mycobacterium ulcerans	glutaminase	0.0178	0.1224	1
Plasmodium falciparum	pyruvate kinase	0.0085	0.0493	0.6826
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.0384	0.0521
Loa Loa (eye worm)	pyruvate kinase	0.0085	0.0493	0.0493
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0384	0.28
Brugia malayi	glutaminase DH11.1	0.0178	0.1224	0.1224
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0043	0.0162	0.0162
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.0383	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0057	0.0057
Echinococcus granulosus	integrin alpha ps	0.0104	0.064	0.087
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0415	0.0415
Onchocerca volvulus		0.0053	0.0245	0.3756
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0384	0.066
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.01	0.0615	0.4781
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.01	0.0615	0.4781
Loa Loa (eye worm)	hypothetical protein	0.0266	0.1917	0.1917
Echinococcus granulosus	integrin alpha 3	0.037	0.2732	0.3711
Loa Loa (eye worm)	hypothetical protein	0.01	0.0615	0.0615
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0089	0.0121
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0043	0.0162	0.0162
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0041	0.0145	0.1374
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.01	0.0615	0.4781
Loa Loa (eye worm)	TAR-binding protein	0.0077	0.0427	0.0427
Echinococcus multilocularis	integrin alpha ps	0.0216	0.1525	0.2072
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0111	0.0696	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0415	0.0415
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0089	0.0154
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0384	0.28
Echinococcus granulosus	pyruvate kinase	0.0044	0.0168	0.0228
Trypanosoma brucei	pyruvate kinase 1	0.0085	0.0493	0.6826
Brugia malayi	Phosphoglycerate kinase	0.0111	0.0696	0.0696
Loa Loa (eye worm)	glutaminase	0.0178	0.1224	0.1224
Trypanosoma brucei	phosphoglycerate kinase	0.0041	0.0145	0.1374
Onchocerca volvulus	Huntingtin homolog	0.0105	0.0652	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0085	0.0493	0.6826
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.0384	0.0521
Trichomonas vaginalis	teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative	0.0042	0.0153	0.0824
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0075	0.0415	0.5817
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.0383	0.5337
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0085	0.0493	0.6826
Echinococcus multilocularis	muscleblind protein 1	0.02	0.1398	0.1899
Loa Loa (eye worm)	glutaminase 2	0.0178	0.1224	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0379	0.2803	0.2803
Toxoplasma gondii	hypothetical protein	0.0042	0.0153	0.1505
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0615	0.0615
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0029	0.0057	0.048
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.0055	0.0055
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0057	0.0057
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Echinococcus multilocularis	cpg binding protein	0.0056	0.0269	0.0365
Echinococcus granulosus	cpg binding protein	0.0056	0.0269	0.0365
Entamoeba histolytica	acyl-CoA synthetase, putative	0.01	0.0615	0.873
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0029	0.0057	0.0057
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0085	0.0493	0.0493
Brugia malayi	EGF-like domain containing protein	0.0042	0.0153	0.0153
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0453	0.0778
Toxoplasma gondii	pyruvate kinase PyK1	0.0085	0.0493	0.6826
Brugia malayi	jmjC domain containing protein	0.0031	0.0065	0.0065
Trichomonas vaginalis	hypothetical protein	0.0042	0.0153	0.0824
Giardia lamblia	Pyruvate kinase	0.0044	0.0168	0.0274
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0029	0.0057	0.048
Echinococcus granulosus	pyruvate kinase	0.0085	0.0493	0.067
Schistosoma mansoni	polycystin 1-related	0.0032	0.0078	0.0133
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0615	0.0615
Echinococcus granulosus	muscleblind protein	0.02	0.1398	0.1899
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0057	0.048
Echinococcus multilocularis	pyruvate kinase	0.0085	0.0493	0.067
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0111	0.0696	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0162	0.0162
Treponema pallidum	phosphoglycerate kinase	0.0111	0.0696	0.5
Brugia malayi	TAR-binding protein	0.0077	0.0427	0.0427
Echinococcus multilocularis	fibrillin 2	0.0042	0.0153	0.0208
Loa Loa (eye worm)	integrin beta-2	0.1295	1	1
Schistosoma mansoni	hypothetical protein	0.0104	0.064	0.1101
Loa Loa (eye worm)	pyruvate kinase	0.0085	0.0493	0.0493
Entamoeba histolytica	pyruvate kinase, putative	0.0059	0.0291	0.3663
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.0384	0.5348
Onchocerca volvulus	Pyruvate kinase homolog	0.0085	0.0493	0.7563
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0111	0.0696	1
Echinococcus granulosus	pyruvate kinase	0.0044	0.0168	0.0228
Mycobacterium ulcerans	hypothetical protein	0.01	0.0615	0.4781
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0197	0.1371	0.1371
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0365	0.2694	0.2694
Schistosoma mansoni	integrin alpha-ps	0.0113	0.0711	0.1222
Echinococcus multilocularis	fibrillin 1	0.0042	0.0153	0.0208
Giardia lamblia	Phosphoglycerate kinase	0.0111	0.0696	1
Mycobacterium ulcerans	pyruvate kinase	0.0085	0.0493	0.3738
Loa Loa (eye worm)	hypothetical protein	0.01	0.0615	0.0615
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.008	0.0453	0.0615
Loa Loa (eye worm)	hypothetical protein	0.01	0.0615	0.0615
Echinococcus granulosus	expressed conserved protein	0.0093	0.0555	0.0754
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0029	0.0057	0.048
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0029	0.0057	0.048
Trypanosoma brucei	phosphoglycerate kinase	0.0111	0.0696	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0029	0.0057	0.0057
Brugia malayi	hypothetical protein	0.0197	0.1371	0.1371
Echinococcus multilocularis	integrin beta 2	0.0959	0.7363	1
Plasmodium falciparum	pyruvate kinase 2	0.0044	0.0168	0.1737
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0153	0.0153
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0029	0.0057	0.0078
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0111	0.0696	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0184	0.1268	0.1268
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0029	0.0057	0.0057
Echinococcus multilocularis	protein jagged 2	0.0042	0.0153	0.0208
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0057	0.048
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0615	0.873
Onchocerca volvulus		0.0042	0.0153	0.2351
Echinococcus multilocularis	pyruvate kinase	0.0044	0.0168	0.0228
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0615	0.4781
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0077	0.0427	0.0427
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0026	0.0027	0.0027
Plasmodium falciparum	phosphoglycerate kinase	0.0111	0.0696	1
Onchocerca volvulus		0.01	0.0615	0.9428
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0085	0.0493	0.6826
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0493	0.0493
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.01	0.0615	0.873
Echinococcus multilocularis	lysine specific demethylase 5A	0.0031	0.0065	0.0089
Echinococcus granulosus	phosphoglycerate kinase 1	0.0111	0.0696	0.0945
Echinococcus multilocularis	microtubule associated protein 2	0.0358	0.2642	0.3589
Echinococcus multilocularis	pyruvate kinase	0.0085	0.0493	0.067
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0029	0.0057	0.048
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0696	0.0696
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0111	0.0696	1
Chlamydia trachomatis	pyruvate kinase	0.0085	0.0493	0.2777
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.01	0.0615	0.873
Echinococcus multilocularis	tumor protein p63	0.022	0.1554	0.211
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0029	0.0057	0.048
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0415	0.0415
Echinococcus granulosus	fibrillin 1	0.0042	0.0153	0.0208
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.0384	0.5114
Echinococcus granulosus	microtubule associated protein 2	0.0358	0.2642	0.3589
Echinococcus granulosus	fibrillin 2	0.0042	0.0153	0.0208
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0615	0.4781
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0153	0.0153
Brugia malayi	Integrin alpha pat-2 precursor	0.0483	0.3617	0.3617
Schistosoma mansoni	phosphoglycerate kinase	0.0111	0.0696	0.1196
Echinococcus granulosus	integrin beta 2	0.0959	0.7363	1
Brugia malayi	hypothetical protein	0.0105	0.0652	0.0652
Schistosoma mansoni	pyruvate kinase	0.0044	0.0168	0.0289
Loa Loa (eye worm)	pyruvate kinase-PB	0.0059	0.0291	0.0291
Chlamydia trachomatis	phosphoglycerate kinase	0.0111	0.0696	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0029	0.0057	0.048
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0031	0.0065	0.0089
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0029	0.0057	0.0057
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.008	0.0453	0.0615
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.01	0.0615	0.8791
Echinococcus multilocularis	pyruvate kinase	0.0044	0.0168	0.0228
Schistosoma mansoni	tar DNA-binding protein	0.0077	0.0427	0.0734
Schistosoma mansoni	cpg binding protein	0.0053	0.0245	0.0421
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0043	0.0162	0.0162
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0111	0.0696	1
Onchocerca volvulus		0.0029	0.0057	0.0877
Brugia malayi	EGF-like domain containing protein	0.0042	0.0153	0.0153
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.008	0.0453	0.0615
Onchocerca volvulus		0.0029	0.0057	0.0877
Loa Loa (eye worm)	oxidoreductase	0.0029	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0711	0.0711
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1371	0.1371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0453	0.0778
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.008	0.0453	0.0453
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0057	0.0057
Plasmodium vivax	phosphoglycerate kinase, putative	0.0111	0.0696	1
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0111	0.0696	1
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0111	0.0696	0.5476
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.008	0.0453	0.0453
Onchocerca volvulus	Pyruvate kinase homolog	0.0085	0.0493	0.7563
Onchocerca volvulus	Huntingtin homolog	0.0105	0.0652	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0057	0.048
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0089	0.0089
Echinococcus multilocularis	muscleblind protein	0.02	0.1398	0.1899
Loa Loa (eye worm)	hypothetical protein	0.02	0.1398	0.1398
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0057	0.0057
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0057	0.048
Echinococcus multilocularis	pyruvate kinase	0.0044	0.0168	0.0228
Onchocerca volvulus		0.0032	0.0078	0.1202
Schistosoma mansoni	microtubule-associated protein tau	0.0358	0.2642	0.4542
Echinococcus granulosus	tar DNA binding protein	0.0077	0.0427	0.058
Echinococcus multilocularis	integrin alpha ps	0.0104	0.064	0.087
Schistosoma mansoni	glutaminase	0.0178	0.1224	0.2104
Brugia malayi	RNA recognition motif domain containing protein	0.0077	0.0427	0.0427
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.0384	0.28
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0031	0.0065	0.0089
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0111	0.0696	0.5476
Schistosoma mansoni	integrin alpha-ps	0.0216	0.1525	0.2622
Schistosoma mansoni	acetyl-CoA synthetase	0.0029	0.0057	0.0098
Entamoeba histolytica	acyl-CoA synthetase, putative	0.01	0.0615	0.873
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0555	0.0754
Plasmodium vivax	pyruvate kinase 2, putative	0.0044	0.0168	0.1737
Toxoplasma gondii	pyruvate kinase PyKII	0.0044	0.0168	0.1737
Schistosoma mansoni	pyruvate kinase	0.0085	0.0493	0.0848
Plasmodium vivax	acyl-CoA synthetase, putative	0.0075	0.0415	0.5606
Loa Loa (eye worm)	hypothetical protein	0.02	0.1398	0.1398
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0078	0.0078
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0111	0.0696	0.0945
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0615	0.873
Echinococcus granulosus	tumor protein p63	0.022	0.1554	0.211
Mycobacterium ulcerans	phosphoglycerate kinase	0.0111	0.0696	0.5476
Trichomonas vaginalis	pyruvate kinase, putative	0.0085	0.0493	0.3738
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0029	0.0057	0.0078
Schistosoma mansoni	tar DNA-binding protein	0.0077	0.0427	0.0734
Brugia malayi	MH2 domain containing protein	0.0184	0.1268	0.1268
Schistosoma mansoni	integrin alpha	0.0483	0.3617	0.6219
Brugia malayi	EGF-like domain containing protein	0.0042	0.0153	0.0153
Echinococcus multilocularis	adam	0.0042	0.0153	0.0208
Schistosoma mansoni	integrin beta subunit	0.0762	0.5817	1
Schistosoma mansoni	pyruvate kinase	0.0085	0.0493	0.0848
Echinococcus multilocularis	integrin alpha 3	0.037	0.2732	0.3711
Onchocerca volvulus	Pyruvate kinase homolog	0.0085	0.0493	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0055	0.0055
Brugia malayi	RNA binding protein	0.0077	0.0427	0.0427
Plasmodium falciparum	acyl-CoA synthetase	0.0075	0.0415	0.5606
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0075	0.0415	0.307
Brugia malayi	Muscleblind-like protein	0.02	0.1398	0.1398
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0615	0.4781
Brugia malayi	CXXC zinc finger family protein	0.0053	0.0245	0.0245
Echinococcus granulosus	pyruvate kinase	0.0085	0.0493	0.067
Schistosoma mansoni	tar DNA-binding protein	0.0077	0.0427	0.0734
Trypanosoma brucei	phosphoglycerate kinase	0.0111	0.0696	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.008	0.0453	0.0778
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0615	0.873
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0111	0.0696	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0415	0.0415
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0085	0.0493	0.6978
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.0365	0.2695	1
Echinococcus granulosus	pyruvate kinase	0.0044	0.0168	0.0228
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Schistosoma mansoni	cpg binding protein	0.0056	0.0269	0.0462
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0102	0.0625	0.1074
Loa Loa (eye worm)	integrin alpha pat-2	0.0744	0.5671	0.5671
Loa Loa (eye worm)	pyruvate kinase	0.0085	0.0493	0.0493
Schistosoma mansoni	jumonji domain containing protein	0.0031	0.0065	0.0113
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0057	0.0057
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.0384	0.066
Brugia malayi	Kelch motif family protein	0.0197	0.1371	0.1371
Echinococcus granulosus	adam	0.0042	0.0153	0.0208
Schistosoma mansoni	tar DNA-binding protein	0.0077	0.0427	0.0734
Schistosoma mansoni	tar DNA-binding protein	0.0077	0.0427	0.0734
Entamoeba histolytica	acyl-coA synthetase, putative	0.01	0.0615	0.873
Echinococcus multilocularis	tar DNA binding protein	0.0077	0.0427	0.058
Onchocerca volvulus		0.0029	0.0057	0.0877
Brugia malayi	Phosphoglycerate kinase	0.0041	0.0145	0.0145
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0053	0.0245	0.0245
Echinococcus multilocularis	pyruvate kinase	0.0067	0.0353	0.0479
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0089	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0415	0.0415
Echinococcus multilocularis	sentrin specific protease 7	0.0102	0.0625	0.0848
Trypanosoma brucei	pyruvate kinase 1, putative	0.0085	0.0493	0.6826
Onchocerca volvulus		0.0029	0.0057	0.0877
Plasmodium vivax	pyruvate kinase, putative	0.0085	0.0493	0.6826
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0153	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0153	0.0153
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.0383	0.5337
Loa Loa (eye worm)	RNA binding protein	0.0077	0.0427	0.0427
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.0384	0.5114
Brugia malayi	jmjC domain containing protein	0.0034	0.0089	0.0089
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.01	0.0615	0.8791
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.008	0.0453	0.0615
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.0383	0.5337
Leishmania major	pyruvate kinase	0.0085	0.0493	0.6826
Schistosoma mansoni	cellular tumor antigen P53	0.0032	0.0078	0.0135
Schistosoma mansoni	phosphoglycerate kinase	0.0111	0.0696	0.1196
Giardia lamblia	Pyruvate kinase	0.0085	0.0493	0.6264
Schistosoma mansoni	cpg binding protein	0.0056	0.0269	0.0462
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0101	0.062	0.8814
Echinococcus granulosus	sentrin specific protease 7	0.0102	0.0625	0.0848
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0113	0.0715	0.123
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0041	0.0145	0.1374
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0102	0.0625	0.8885
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0085	0.0493	0.0493
Echinococcus multilocularis	integrin alpha ps	0.0216	0.1525	0.2072
Trichomonas vaginalis	glutaminase, putative	0.0178	0.1224	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.01	0.0615	0.4781
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0652	0.0652
Brugia malayi	EGF-like domain containing protein	0.0042	0.0153	0.0153
Trichomonas vaginalis	pyruvate kinase, putative	0.0085	0.0493	0.3738
Loa Loa (eye worm)	hypothetical protein	0.0104	0.064	0.064
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0652	0.0652
Schistosoma mansoni	hypothetical protein	0.0029	0.0055	0.0095
Loa Loa (eye worm)	MH2 domain-containing protein	0.0184	0.1268	0.1268
Loa Loa (eye worm)	hypothetical protein	0.0365	0.2694	0.2694
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0111	0.0696	1
Leishmania major	pyruvate kinase	0.0085	0.0493	0.6826
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0057	0.0057

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6.2 uM	Inhibition of Clostridium histolyticum collagenase using a linear regression program	ChEMBL.	10743957
Ki (binding)	= 6.2 uM	Inhibition of Clostridium histolyticum collagenase using a linear regression program	ChEMBL.	10743957

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 252899