TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.586 | Formula: C26H32N8
H donors: 3 H acceptors: 4 LogP: 3.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccc(nc2)c2ccccc2)c2c(n1)n(cn2)C(C)C
InChi: 1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-11-9-20(27)10-12-21)29-15-18-8-13-22(28-14-18)19-6-4-3-5-7-19/h3-8,13-14,16-17,20-21H,9-12,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
InChiKey: BBNBFSYCPUPPCC-MEMLXQNLSA-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	cyclin E2	Starlite/ChEMBL	References
Homo sapiens	cyclin A1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Entamoeba histolytica	cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma cruzi	cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania donovani	CYC2-like cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Echinococcus granulosus	cyclin B	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma cruzi	CYC2-like cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania infantum	CYC2-like cyclin, putative,cyclin 6, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania major	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma brucei	mitotic cyclin 6	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma cruzi	cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Echinococcus multilocularis	cyclin B	Get druggable targets OG5_126649	All targets in OG5_126649
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_126649	All targets in OG5_126649
Cryptosporidium parvum	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Candida albicans	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania infantum	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Candida albicans	likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction	Get druggable targets OG5_126649	All targets in OG5_126649
Candida albicans	likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction	Get druggable targets OG5_126649	All targets in OG5_126649
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania mexicana	CYC2-like cyclin, putative,cyclin 6, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma brucei gambiense	cyclin 6,mitotic cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Cryptosporidium hominis	mitotic cyclin-CYC2	Get druggable targets OG5_126649	All targets in OG5_126649
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma japonicum	ko:K05868 cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania mexicana	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclin A, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Onchocerca volvulus		Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania braziliensis	CYC2-like cyclin, putative,cyclin 6, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma mansoni	cyclin B	Get druggable targets OG5_126649	All targets in OG5_126649
Candida albicans	likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma congolense	Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania donovani	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma cruzi	cyclin 6, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania braziliensis	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma congolense	mitotic cyclin 6	Get druggable targets OG5_126649	All targets in OG5_126649
Giardia lamblia	G2/mitotic-specific cyclin B	Get druggable targets OG5_126649	All targets in OG5_126649

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	Basic leucine zipper bZIP transcription	0.0376	0.255	0.2539
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0043	0.0077	0.0063
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0444	0.3051	0.4647
Trichomonas vaginalis	cyclins, putative	0.0073	0.0299	0.4375
Schistosoma mansoni	cyclin B	0.0073	0.0299	0.0285
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0067	0.0259	0.8203
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0476	0.3287	0.3231
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0073	0.0299	0.0423
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0115	0.0613	0.06
Leishmania major	hypothetical protein, conserved	0.0115	0.0613	0.3753
Schistosoma mansoni	cyclin B3	0.0043	0.0077	0.0063
Echinococcus multilocularis	tar DNA binding protein	0.0452	0.311	0.31
Entamoeba histolytica	cyclin, putative	0.0073	0.0299	0.0899
Schistosoma mansoni	thyroid hormone receptor	0.0309	0.2053	0.2042
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0148	0.0134
Schistosoma mansoni	tar DNA-binding protein	0.0452	0.311	0.31
Giardia lamblia	G2/mitotic-specific cyclin B	0.0073	0.0299	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0077	0.0402
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0067	0.0259	0.0178
Leishmania major	cyclin	0.0073	0.0299	0.0423
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0067	0.0259	0.0276
Loa Loa (eye worm)	hypothetical protein	0.1381	1	1
Trichomonas vaginalis	glutathione reductase, putative	0.0067	0.0259	0.3659
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0073	0.0299	0.0285
Toxoplasma gondii	thioredoxin reductase	0.0195	0.1202	0.1202
Echinococcus granulosus	thioredoxin glutathione reductase	0.0195	0.1202	0.119
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.1381	1	1
Brugia malayi	beta-lactamase family protein	0.0115	0.0613	0.06
Schistosoma mansoni	microtubule-associated protein tau	0.0803	0.5716	0.571
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0287	0.4155
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0494	0.3419	0.5222
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0286	0.1883	0.1871
Treponema pallidum	NADH oxidase	0.0067	0.0259	0.0178
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0286	0.1883	0.1871
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0476	0.3287	0.3109
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0148	0.0134
Trichomonas vaginalis	cyclins, putative	0.0073	0.0299	0.4375
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0299	0.0285
Echinococcus granulosus	tar DNA binding protein	0.0452	0.311	0.31
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0115	0.0613	0.06
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0077	0.0393
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0195	0.1202	0.119
Onchocerca volvulus		0.0073	0.0299	0.2776
Entamoeba histolytica	hypothetical protein	0.0376	0.255	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0115	0.0613	0.06
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Loa Loa (eye worm)	transcription factor SMAD2	0.0505	0.3503	0.3494
Onchocerca volvulus		0.0159	0.0935	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0115	0.0613	0.083
Brugia malayi	beta-lactamase family protein	0.0115	0.0613	0.06
Schistosoma mansoni	tar DNA-binding protein	0.0452	0.311	0.31
Plasmodium vivax	glutathione reductase, putative	0.0195	0.1202	0.0968
Schistosoma mansoni	tar DNA-binding protein	0.0452	0.311	0.31
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0077	0.0255
Schistosoma mansoni	hypothetical protein	0.0376	0.255	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Toxoplasma gondii	NADPH-glutathione reductase	0.0067	0.0259	0.0259
Mycobacterium tuberculosis	Probable reductase	0.0444	0.3051	0.4647
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0067	0.0259	0.0178
Echinococcus granulosus	microtubule associated protein 2	0.0803	0.5716	0.571
Trichomonas vaginalis	D-aminoacylase, putative	0.0115	0.0613	1
Onchocerca volvulus		0.0115	0.0613	0.6346
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0115	0.0613	0.083
Loa Loa (eye worm)	TAR-binding protein	0.0452	0.311	0.31
Mycobacterium tuberculosis	Probable esterase LipL	0.0115	0.0613	0.083
Echinococcus granulosus	beta LACTamase domain containing family member	0.0115	0.0613	0.06
Mycobacterium ulcerans	lipase LipD	0.0115	0.0613	0.0535
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0043	0.0077	0.0063
Echinococcus granulosus	cyclins	0.0043	0.0077	0.0063
Schistosoma mansoni	ferritin light chain	0.0044	0.0083	0.0069
Mycobacterium tuberculosis	Probable hydrolase	0.0115	0.0613	0.083
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0452	0.311	0.31
Schistosoma mansoni	chromobox protein	0.0071	0.0287	0.0273
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Schistosoma mansoni	tar DNA-binding protein	0.0452	0.311	0.31
Brugia malayi	beta-lactamase	0.0115	0.0613	0.06
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0067	0.0259	0.0245
Echinococcus granulosus	cyclins	0.0043	0.0077	0.0063
Trichomonas vaginalis	cyclins, putative	0.0073	0.0299	0.4375
Schistosoma mansoni	ferritin	0.0044	0.0083	0.0069
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.1381	1	1
Echinococcus granulosus	cyclin B3 1	0.0043	0.0077	0.0063
Loa Loa (eye worm)	thioredoxin reductase	0.0195	0.1202	0.119
Trypanosoma brucei	mitotic cyclin 6	0.0073	0.0299	0.0423
Echinococcus multilocularis	cyclin B3 1	0.0043	0.0077	0.0063
Schistosoma mansoni	hypothetical protein	0.0036	0.0025	0.0011
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.0115	0.0613	0.3753
Brugia malayi	RNA recognition motif domain containing protein	0.0452	0.311	0.31
Schistosoma mansoni	cellular tumor antigen P53	0.0159	0.0935	0.0922
Schistosoma mansoni	peptidase Clp (S14 family)	0.1381	1	1
Brugia malayi	RNA binding protein	0.0452	0.311	0.31
Brugia malayi	MH2 domain containing protein	0.0505	0.3503	0.3494
Echinococcus multilocularis	ferritin	0.0044	0.0083	0.0069
Trypanosoma cruzi	hypothetical protein, conserved	0.0115	0.0613	0.3753
Schistosoma mansoni	hypothetical protein	0.0286	0.1883	0.1871
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0287	0.0273
Mycobacterium tuberculosis	Probable oxidoreductase	0.0494	0.3419	0.5222
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Entamoeba histolytica	hypothetical protein	0.0376	0.255	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0736	0.5216	0.8035
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0025	0.0011
Brugia malayi	chromobox protein homolog 3	0.004	0.0055	0.0041
Brugia malayi	glutathione reductase	0.0195	0.1202	0.119
Mycobacterium tuberculosis	Probable dehydrogenase	0.0444	0.3051	0.4647
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0067	0.0259	0.0178
Trypanosoma cruzi	trypanothione reductase, putative	0.0195	0.1202	1
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0287	0.4155
Trypanosoma brucei	hypothetical protein, conserved	0.0115	0.0613	0.3753
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Trichomonas vaginalis	esterase, putative	0.0115	0.0613	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0905	0.6472	1
Echinococcus granulosus	cyclin B	0.0073	0.0299	0.0285
Echinococcus multilocularis	cyclin B	0.0073	0.0299	0.0285
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0476	0.3287	0.3231
Echinococcus granulosus	tumor protein p63	0.1083	0.7791	0.7788
Mycobacterium ulcerans	esterase/lipase LipP	0.0115	0.0613	0.0535
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0067	0.0259	0.0184
Trypanosoma cruzi	cyclin, putative	0.0073	0.0299	0.0423
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0067	0.0259	0.0178
Mycobacterium leprae	Probable lipase LipE	0.0115	0.0613	0.0535
Loa Loa (eye worm)	RNA binding protein	0.0452	0.311	0.31
Entamoeba histolytica	hypothetical protein	0.0376	0.255	1
Onchocerca volvulus		0.0115	0.0613	0.6346
Schistosoma mansoni	thyroid hormone receptor	0.0309	0.2053	0.2042
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0115	0.0613	0.0535
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0494	0.3419	0.5222
Echinococcus multilocularis	tumor protein p63	0.1083	0.7791	0.7788
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0309	0.2053	0.2042
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0067	0.0259	0.0245
Schistosoma mansoni	ferritin	0.0044	0.0083	0.0069
Echinococcus granulosus	cyclin b3	0.0043	0.0077	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0011
Echinococcus granulosus	expressed protein	0.0044	0.0083	0.0069
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Plasmodium falciparum	thioredoxin reductase	0.0067	0.0259	0.0184
Loa Loa (eye worm)	cyclin domain-containing protein	0.0043	0.0077	0.0063
Mycobacterium tuberculosis	Conserved protein	0.0115	0.0613	0.083
Trichomonas vaginalis	cyclin B, putative	0.0073	0.0299	0.4375
Trichomonas vaginalis	cyclin B, putative	0.0073	0.0299	0.4375
Trichomonas vaginalis	mercuric reductase, putative	0.0067	0.0259	0.3659
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0905	0.6472	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0195	0.1202	0.1753
Brugia malayi	hypothetical protein	0.0376	0.255	0.2539
Trichomonas vaginalis	D-aminoacylase, putative	0.0115	0.0613	1
Trypanosoma brucei	trypanothione reductase	0.0195	0.1202	1
Onchocerca volvulus		0.0115	0.0613	0.6346
Plasmodium falciparum	glutathione reductase	0.0195	0.1202	0.1134
Brugia malayi	Thioredoxin reductase	0.0195	0.1202	0.119
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0287	0.0273
Mycobacterium tuberculosis	Conserved protein	0.0115	0.0613	0.083
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0376	0.255	0.2539
Trichomonas vaginalis	cyclins, putative	0.0043	0.0077	0.0393
Toxoplasma gondii	hypothetical protein	0.0476	0.3287	0.3287
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0067	0.0259	0.0245
Trypanosoma cruzi	cyclin 6, putative	0.0073	0.0299	0.0423
Trichomonas vaginalis	cyclins, putative	0.004	0.0058	0.0056
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0077	0.0393
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.005	0.0126	0.0112
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0067	0.0259	0.0184
Mycobacterium tuberculosis	Probable lipase LipD	0.0115	0.0613	0.083
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0494	0.3419	0.3364
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0073	0.0299	0.0423
Echinococcus multilocularis	expressed protein	0.0044	0.0083	0.0069
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0287	0.0273
Trichomonas vaginalis	cyclin D, putative	0.0043	0.0077	0.0393
Trichomonas vaginalis	penicillin-binding protein, putative	0.0115	0.0613	1
Schistosoma mansoni	chromobox protein	0.0071	0.0287	0.0273
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.1381	1	1
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Trichomonas vaginalis	D-aminoacylase, putative	0.0115	0.0613	1
Schistosoma mansoni	tar DNA-binding protein	0.0452	0.311	0.31
Echinococcus granulosus	cyclins	0.0043	0.0077	0.0063
Mycobacterium leprae	conserved hypothetical protein	0.0115	0.0613	0.0535
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0077	0.0402
Plasmodium vivax	thioredoxin reductase, putative	0.0195	0.1202	0.0968
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0444	0.3051	0.2994
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.0077	0.0063
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0115	0.0613	0.06
Trichomonas vaginalis	cyclin B3, putative	0.0043	0.0077	0.0393
Plasmodium falciparum	glutathione reductase	0.0067	0.0259	0.0184
Plasmodium falciparum	thioredoxin reductase	0.0195	0.1202	0.1134
Trypanosoma cruzi	cyclin, putative	0.0073	0.0299	0.0423
Entamoeba histolytica	hypothetical protein	0.0376	0.255	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0476	0.3287	0.3235
Leishmania major	trypanothione reductase	0.0195	0.1202	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.1381	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Loa Loa (eye worm)	beta-lactamase	0.0115	0.0613	0.06
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0905	0.6472	0.6467
Schistosoma mansoni	apoferritin-2	0.0044	0.0083	0.0069
Plasmodium vivax	hypothetical protein, conserved	0.0115	0.0613	0.0363
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0148	0.0134
Trichomonas vaginalis	cyclin A, putative	0.0073	0.0299	0.4375
Schistosoma mansoni	cyclins	0.0043	0.0077	0.0063
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0444	0.3051	0.4647
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.1381	1	1
Echinococcus granulosus	chromobox protein 1	0.0071	0.0287	0.0273
Mycobacterium ulcerans	beta-lactamase	0.0115	0.0613	0.0535
Trichomonas vaginalis	cyclin D, putative	0.0043	0.0077	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0444	0.3051	0.4647
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.1381	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0115	0.0613	0.06
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0148	0.0134
Mycobacterium tuberculosis	Conserved protein	0.0115	0.0613	0.083
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Toxoplasma gondii	ABC1 family protein	0.0115	0.0613	0.0613
Mycobacterium tuberculosis	Probable lipase LipE	0.0115	0.0613	0.083
Trichomonas vaginalis	cyclins, putative	0.0073	0.0299	0.4375
Loa Loa (eye worm)	glutathione reductase	0.0195	0.1202	0.119
Echinococcus granulosus	chromobox protein 1	0.0071	0.0287	0.0273
Echinococcus granulosus	peptidase Clp S14 family	0.0905	0.6472	0.6467
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0067	0.0259	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0935	0.0922
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0376	0.255	0.2539
Loa Loa (eye worm)	hypothetical protein	0.004	0.0055	0.0041
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0067	0.0259	0.0259
Mycobacterium ulcerans	hypothetical protein	0.0115	0.0613	0.0535
Echinococcus multilocularis	cyclin b3	0.0043	0.0077	0.0063
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0073	0.0299	0.0285
Schistosoma mansoni	apoferritin-2	0.0044	0.0083	0.0069
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0905	0.6472	0.6442
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0115	0.0613	0.083
Echinococcus granulosus	ferritin	0.0044	0.0083	0.0069
Echinococcus granulosus	cyclins	0.0043	0.0077	0.0063
Trichomonas vaginalis	penicillin-binding protein, putative	0.0115	0.0613	1
Trichomonas vaginalis	cyclin B, putative	0.0073	0.0299	0.4375
Schistosoma mansoni	ferritin	0.0044	0.0083	0.0069
Schistosoma mansoni	ferritin	0.0044	0.0083	0.0069
Trichomonas vaginalis	ferritin, putative	0.0044	0.0083	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0299	0.0285
Echinococcus multilocularis	cyclins	0.0043	0.0077	0.0063
Echinococcus granulosus	cyclins	0.0043	0.0077	0.0063
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0444	0.3051	0.4647
Brugia malayi	Heterochromatin protein 1	0.0071	0.0287	0.0273
Echinococcus multilocularis	microtubule associated protein 2	0.0803	0.5716	0.571
Loa Loa (eye worm)	MH2 domain-containing protein	0.0505	0.3503	0.3494
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0067	0.0259	0.0178
Trichomonas vaginalis	cyclin B, putative	0.0073	0.0299	0.4375
Brugia malayi	TAR-binding protein	0.0452	0.311	0.31
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0613	0.06
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.1381	1	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.005	0.0126	0.0112
Schistosoma mansoni	ferritin light chain	0.0044	0.0083	0.0069

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.04 microM	Inhibition of Cdk2/cyclinE	ChEMBL.	19854650
IC50 (binding)	= 0.1 microM	Inhibition of recombinant Cdk2/cyclinA	ChEMBL.	19854650

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

ChEMBL: CHEMBL565705

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1061573