TDR Targets

Basic information

Technical information

TDR Targets ID: 1411153
Name: STOCK3S-88694
MW: 447.917 | Formula: C24H22ClN5O2
H donors: 0 H acceptors: 3 LogP: 3.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COCCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl
InChi: 1S/C24H22ClN5O2/c1-15-26-22-20(24(31)30(15)14-16-8-10-17(25)11-9-16)21-23(29(22)12-5-13-32-2)28-19-7-4-3-6-18(19)27-21/h3-4,6-11H,5,12-14H2,1-2H3
InChiKey: WXZAGXWTWZPEEA-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

MLS000042025
SMR000042612
ZINC02255907

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 10	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania donovani	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Cryptosporidium parvum	scully CG7113-PA, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Cryptosporidium hominis	scully CG7113-PA	Get druggable targets OG5_129031	All targets in OG5_129031
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	hydroxysteroid (17-beta) dehydrogenase 10	252 aa	251 aa	24.7 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.1247	0.0901
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.6627	0.6627
Brugia malayi	Cytochrome P450 family protein	0.0055	0.4845	0.4845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Plasmodium vivax	RNA helicase-1, putative	0.0101	1	1
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0101	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.1247	0.0901
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	0.643	0.643
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0595	0.0595
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0595	0.0224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.1247	0.0901
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.1247	0.1247
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.1247	0.1247
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.6627	0.6627
Brugia malayi	cytochrome P450	0.0017	0.0595	0.0595
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.1247	0.1247
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.6627	0.6627
Onchocerca volvulus		0.0023	0.1247	0.1247
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0101	1	1
Onchocerca volvulus		0.0023	0.1247	0.1247
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0101	1	1
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.0759	0.0759
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Onchocerca volvulus		0.0023	0.1247	0.1247
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.0759	0.0393
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.0759	0.0759
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.5905	0.5905
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.4845	0.4845
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1571	0.1571
Echinococcus multilocularis		0.0017	0.0595	0.0595
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	1	1
Brugia malayi	jmjC domain containing protein	0.0019	0.0759	0.0759
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.1247	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0759	0.0759
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.1247	0.0901
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0759	0.0759
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0069	0.643	0.6204
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0101	1	1
Onchocerca volvulus		0.0023	0.1247	0.1247
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.1247	0.0901
Loa Loa (eye worm)	cysteine protease	0.0023	0.1247	0.1247
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.0759	0.0759
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0017	0.0595	0.0224
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.0759	0.0393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1571	0.1571
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0019	0.0759	0.0174
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.1247	0.1247
Leishmania major	hypothetical protein, conserved	0.0019	0.0759	0.0174
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.6886	0.6886
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.0759	0.0759
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.0759	0.0759
Loa Loa (eye worm)	ctsf protein	0.0023	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Schistosoma mansoni	hypothetical protein	0.0017	0.0595	0.0595
Brugia malayi	jmjC domain containing protein	0.0019	0.0759	0.0759
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0016	0.038	0.038
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	1	1
Entamoeba histolytica	cysteine protease, putative	0.0023	0.1247	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0016	0.038	0.038
Brugia malayi	jmjC domain containing protein	0.0071	0.6627	0.6627
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0069	0.643	0.9275
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0101	1	0.5
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1571	0.1571
Onchocerca volvulus		0.0016	0.038	0.038
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0101	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.6886	0.6886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0759	0.0759
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus multilocularis	cysteine protease	0.0023	0.1247	0.1247
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.1247	0.1247
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	0.643	0.643
Leishmania major	cytochrome p450-like protein	0.0026	0.1571	0.1037
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0023	0.1247	0.0529
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.6886	0.6886
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1571	0.1238
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0595	0.0595
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Brugia malayi	Cathepsin L-like precursor	0.0016	0.038	0.038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0019	0.0759	0.0174
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.0759	0.0759
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0023	0.1247	0.0529
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1571	0.1571
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.6886	1
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0101	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0759	0.0759
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0069	0.643	0.6204
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.1247	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0101	1	1
Schistosoma mansoni	cytochrome P450	0.0017	0.0595	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0759	0.0759
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.1247	0.0901
Onchocerca volvulus		0.0023	0.1247	0.1247
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	1	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0069	0.643	0.643
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.6627	0.6627
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.6886	0.6689
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.1571	0.1551
Brugia malayi	cathepsin L-like precursor	0.0016	0.038	0.038
Plasmodium vivax	vivapain-2	0.0023	0.1247	0.0529
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.1571	0.1037
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.1247	0.1247
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.038	0.038
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0101	1	1
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0595	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.1247	0.1247
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.6886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0595	0.5
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.0759	0.0759
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0023	0.1247	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0016	0.038	0.038
Onchocerca volvulus		0.0023	0.1247	0.1247
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.0759	0.0759
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.6627	0.6627
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.6627	0.6627
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.1247	0.0901
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.6886	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.0759	0.0759
Echinococcus granulosus	phd:f box containing protein	0.0019	0.0759	0.0759
Onchocerca volvulus		0.0023	0.1247	0.1247
Brugia malayi	jmjC domain containing protein	0.0019	0.0759	0.0759
Brugia malayi	Cathepsin L-like precursor	0.0016	0.038	0.038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0101	1	1
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.6627	0.6627
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.6886	0.6689
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.6886	0.6689
Plasmodium vivax	vivapain-2	0.0023	0.1247	0.0529
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.1247	0.1247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus granulosus	cathepsin l1	0.0016	0.038	0.038
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.0759	0.0759
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.1247	0.0693
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	1	1
Toxoplasma gondii	cathepsin CPL	0.0023	0.1247	0.0693
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.0759	0.0759
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.1571	0.1571
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.6886	0.6886
Brugia malayi	Cathepsin L-like precursor	0.0023	0.1247	0.1247
Loa Loa (eye worm)	fibroinase	0.0023	0.1247	0.1247
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0759	0.0759
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0069	0.643	0.643
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0595	0.0224
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1571	0.1238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0101	1	1
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0101	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0069	0.643	0.9275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.1247	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.1247	0.0901
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.1247	0.1247
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.0759	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0759	0.0759
Leishmania major	cathepsin L-like protease	0.0023	0.1247	0.0693
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.1247	0.1247
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0019	0.0759	0.0174
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0595	0.0595
Brugia malayi	jmjC domain containing protein	0.0019	0.0759	0.0759
Echinococcus granulosus	cathepsin l1	0.0023	0.1247	0.1247
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.6627	0.6627
Echinococcus multilocularis	cysteine protease	0.0023	0.1247	0.1247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.1247	0.0693
Brugia malayi	jmjC domain containing protein	0.0071	0.6627	0.6627
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.1247	0.1247
Treponema pallidum	ATP-dependent RNA helicase	0.0101	1	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.1247	0.1247
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0759	0.0759
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0016	0.038	0.038

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	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: CHEMBL1547879

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1411153