TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 415.387 | Formula: C21H17F4N5
H donors: 3 H acceptors: 2 LogP: 5.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(Nc2ccc(c(c2)C(F)(F)F)F)c2c(n1)[nH]c(c2)CCc1ccccc1
InChi: 1S/C21H17F4N5/c22-17-9-8-14(11-16(17)21(23,24)25)28-19-15-10-13(27-18(15)29-20(26)30-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,26,27,28,29,30)
InChiKey: DZLMUJLCCUJDSO-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

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0284	0.0823
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.2418	0.964
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.2251	0.8948
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.0672	0.0585
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.6811	1
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.2418	1
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.128	0.5106
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.06
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0183	0.0105
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Brugia malayi	topoisomerase	0.001	0.0284	0.0223
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0284	0.0823
Treponema pallidum	NADH oxidase	0.0016	0.0672	0.2684
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.6781	0.7804
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.2418	0.2418
Schistosoma mansoni	hypothetical protein	0.017	0.975	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.6098	0.8937
Leishmania major	trypanothione reductase	0.0047	0.2505	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0183	0.0093
Brugia malayi	MH1 domain containing protein	0.0008	0.0183	0.0105
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0672	0.0862
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0183	0.0093
Schistosoma mansoni	heat shock protein	0.0046	0.2418	0.2407
Schistosoma mansoni	topbp1	0.001	0.0284	0.0198
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0284	0.0193
Echinococcus multilocularis	heat shock protein 90	0.0046	0.2418	0.2407
Plasmodium falciparum	glutathione reductase	0.0016	0.0672	0.0585
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0288	0.0839
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.2025	0.8012
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0288	0.0197
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.2505	0.2814
Plasmodium falciparum	thioredoxin reductase	0.0047	0.2505	0.2434
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0284	0.0284
Trypanosoma cruzi	heat shock protein, putative	0.0031	0.1506	0.5858
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.1673	0.6795
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0031	0.1506	0.1463
Schistosoma mansoni	topbp1	0.001	0.0284	0.0198
Echinococcus granulosus	heat shock protein	0.0046	0.2418	0.2407
Brugia malayi	MH2 domain containing protein	0.0008	0.0183	0.0105
Toxoplasma gondii	thioredoxin reductase	0.0047	0.2505	0.2505
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0461	0.1583
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0284	0.0285
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0284	0.0886
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0284	0.0823
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.1124	0.4435
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0825	0.0758
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0672	0.2491
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0.1506	0.1649
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0284	0.0284
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0284	0.0793
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.2251	0.9282
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Plasmodium falciparum	glutathione reductase	0.0047	0.2505	0.2434
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0951	0.0866
Brugia malayi	MH2 domain containing protein	0.012	0.6781	0.7804
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Echinococcus multilocularis	heat shock protein 90	0.0039	0.2025	0.2001
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0031	0.1506	0.6228
Mycobacterium tuberculosis	Probable reductase	0.0108	0.6098	0.8937
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0288	0.0202
Schistosoma mansoni	DNA ligase IV	0.001	0.0284	0.0198
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0183	0.0093
Brugia malayi	MH2 domain containing protein	0.0008	0.0183	0.0105
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.6098	0.8937
Echinococcus granulosus	nibrin	0.001	0.0284	0.0198
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.6811	1
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0284	0.0793
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0284	0.0198
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0414	0.0375
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.2418	0.964
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.2418	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.2418	0.964
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0284	0.0793
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Toxoplasma gondii	Hsp90 domain-containing protein	0.0174	1	1
Brugia malayi	DKFZp564C0469 protein	0.001	0.0284	0.0223
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0672	0.0672
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trypanosoma brucei	heat shock protein 84, putative	0.0031	0.1506	0.5858
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0183	0.0093
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.1673	0.6795
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0288	0.0288
Giardia lamblia	Grp94/Hsp90	0.0043	0.2251	0.9282
Plasmodium falciparum	thioredoxin reductase	0.0016	0.0672	0.0585
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.2251	1
Chlamydia trachomatis	DNA ligase	0.001	0.0284	0.3303
Toxoplasma gondii	heat shock protein 75, putative	0.0031	0.1506	0.1506
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0284	0.0823
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0461	0.1526
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0284	0.0793
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0672	0.2491
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0672	0.2491
Onchocerca volvulus		0.0152	0.8662	1
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.2418	0.2713
Brugia malayi	heat shock protein 90	0.0046	0.2418	0.2713
Loa Loa (eye worm)	hypothetical protein	0.0121	0.6867	0.7905
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0007	0.0093	0.0093
Schistosoma mansoni	smad	0.0008	0.0183	0.0093
Brugia malayi	hypothetical protein	0.001	0.0284	0.0223
Treponema pallidum	DNA ligase (lig)	0.001	0.0284	0.0886
Loa Loa (eye worm)	endoplasmin	0.0046	0.2418	0.2713
Echinococcus granulosus	heat shock protein 90	0.0046	0.2418	0.2407
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0288	0.0228
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Echinococcus granulosus	endoplasmin	0.0043	0.2251	0.2235
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0016	0.0672	0.0585
Schistosoma mansoni	hypothetical protein	0.017	0.975	1
Echinococcus granulosus	bloom syndrome protein	0.0024	0.1124	0.1068
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0016	0.0672	0.0585
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0672	0.2684
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0043	0.2251	0.3212
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0672	0.2402
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.2402
Onchocerca volvulus		0.001	0.0284	0.0223
Loa Loa (eye worm)	heat shock protein 75	0.0031	0.1506	0.1649
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.1124	0.1068
Brugia malayi	Thioredoxin reductase	0.0047	0.2505	0.2814
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Schistosoma mansoni	heat shock protein	0.0046	0.2418	0.2407
Brugia malayi	MH1 domain containing protein	0.0008	0.0183	0.0105
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.2418	0.964
Entamoeba histolytica	DNA topoisomerase II, putative	0.0007	0.0093	0.0385
Plasmodium falciparum	heat shock protein 90, putative	0.0027	0.128	0.1198
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0007	0.0093	0.0093
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0284	0.0793
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.2025	0.8012
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0284	0.0223
Trypanosoma brucei	trypanothione reductase	0.0047	0.2505	1
Brugia malayi	Hsp90 protein	0.0031	0.1506	0.1649
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.2505	0.359
Echinococcus granulosus	Smad4	0.0008	0.0183	0.0093
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0672	0.2402
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0652	0.0652
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.2025	0.8311
Echinococcus multilocularis	endoplasmin	0.0043	0.2251	0.2235
Echinococcus multilocularis	nibrin	0.001	0.0284	0.0198
Plasmodium vivax	endoplasmin, putative	0.0046	0.2418	0.2347
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0284	0.0193
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Schistosoma mansoni	DNA helicase recq5	0.001	0.0288	0.0202
Echinococcus granulosus	geminin	0.017	0.975	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0288	0.0228
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.6811	1
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.6781	0.7804
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.2505	0.2497
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0284	0.0823
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0672	0.2402
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.6098	0.8937
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0672	1
Schistosoma mansoni	DNA helicase recq1	0.001	0.0288	0.0202
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0284	0.1176
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0108	0.6098	0.8937
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0031	0.1506	0.1463
Schistosoma mansoni	Smad4	0.0008	0.0183	0.0093
Plasmodium vivax	heat shock protein, putative	0.0174	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0284	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0284	0.0823
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0288	0.0202
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0672	0.0676
Loa Loa (eye worm)	RecQ helicase	0.0024	0.1124	0.1203
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0414	0.0375
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.2025	0.8311
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0284	0.0223
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0284	0.0823
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0284	0.0823
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.6098	0.8937
Loa Loa (eye worm)	glutathione reductase	0.0047	0.2505	0.2814
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.1124	0.1203
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.2025	0.2001
Schistosoma mansoni	heat shock protein	0.0031	0.1506	0.1463
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.1124	0.4435
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0663	0.0575
Echinococcus multilocularis	smad	0.0008	0.0183	0.0093
Echinococcus granulosus	heat shock protein 90	0.0039	0.2025	0.2001
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.06
Plasmodium vivax	glutathione reductase, putative	0.0047	0.2505	0.2434
Plasmodium falciparum	endoplasmin, putative	0.0033	0.1673	0.1595
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0461	0.1526
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.2505	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0183	0.0093
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0672	0.2684
Brugia malayi	Smad1	0.0008	0.0183	0.0105
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0284	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0152	0.8662	1
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0461	0.1526
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0284	0.0823
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0672	0.2402
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0288	0.0288
Plasmodium falciparum	heat shock protein 90	0.0046	0.2418	0.2347
Loa Loa (eye worm)	hypothetical protein	0.001	0.0288	0.0228
Brugia malayi	Endoplasmin precursor	0.0046	0.2418	0.2713
Plasmodium vivax	heat shock protein 90, putative	0.0031	0.1506	0.1426
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0183	0.0093
Schistosoma mansoni	endoplasmin	0.0046	0.2418	0.2407
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0284	0.0198
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0007	0.0093	0.0093
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.2505	0.2497
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0672	0.2402
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0007	0.0093	0.0093
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.2418	0.964
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0284	0.0823
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0672	0.0672
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0838	0.309
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.6811	1
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0461	0.1907
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.2251	0.9282
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0284	0.0823
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0672	0.2684
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.06
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0672	0.2402
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.2418	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0288	0.0202
Brugia malayi	hypothetical protein	0.0152	0.8662	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.6098	0.8937
Trypanosoma brucei	heat shock protein, putative	0.0046	0.2418	0.964
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0183	0.0093
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0183	0.0093
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0288	0.0202
Echinococcus multilocularis	heat shock protein	0.0046	0.2418	0.2407
Treponema pallidum	heat shock protein 90	0.0043	0.2251	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0672	0.2402
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0288	0.0228
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.2505	0.2434
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0043	0.2251	0.3212
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0672	0.2684
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.2418	0.2418
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0284	0.0886
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.0672	0.0585
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.2418	0.2347
Echinococcus multilocularis	Smad4	0.0008	0.0183	0.0093
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.2402
Leishmania major	heat shock protein 83-1	0.0046	0.2418	0.964
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0672	0.2402
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0672	0.2684
Echinococcus granulosus	smad	0.0008	0.0183	0.0093
Schistosoma mansoni	endoplasmin	0.0046	0.2418	0.2407
Brugia malayi	glutathione reductase	0.0047	0.2505	0.2814
Leishmania major	heat shock protein, putative	0.0031	0.1506	0.5858
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.2418	0.964
Entamoeba histolytica	hypothetical protein	0.001	0.0284	0.1176
Echinococcus multilocularis	geminin	0.017	0.975	1
Brugia malayi	hypothetical protein	0.001	0.0284	0.0223
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.2418	0.964
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.2418	1
Loa Loa (eye worm)	Smad1	0.0008	0.0183	0.0105
Mycobacterium ulcerans	heat shock protein 90	0.0043	0.2251	1
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.2418	0.964
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0183	0.0105

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.12 uM	Antiangiogenic activity against human A431 cells	ChEMBL.	20403693
IC50 (functional)	= 9.8 uM	Cytotoxicity against human A431 cells	ChEMBL.	18467105
IC50 (functional)	= 9.8 uM	Cytotoxicity against human A431 cells	ChEMBL.	20403693
IC50 (binding)	= 90 uM	Inhibition of PDGFRbeta expressed in human tumor cells	ChEMBL.	18467105
IC50 (binding)	= 90 uM	Inhibition of PDGFRbeta	ChEMBL.	20403693
IC50 (binding)	= 122 uM	Inhibition of EGFR expressed in human tumor cells	ChEMBL.	18467105
IC50 (binding)	= 122 uM	Inhibition of EGFR	ChEMBL.	20403693
IC50 (binding)	> 200 uM	Inhibition of VEGFR1 expressed in human tumor cells	ChEMBL.	18467105
IC50 (binding)	> 200 uM	Inhibition of VEGFR2 expressed in human tumor cells	ChEMBL.	18467105
IC50 (binding)	> 200 uM	Inhibition of VEGFR1	ChEMBL.	20403693
IC50 (binding)	> 200 uM	Inhibition of VEGFR2	ChEMBL.	20403693

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18467105

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: CHEMBL482715

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 984956