TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.744 | Formula: C21H17Cl3N4O3
H donors: 2 H acceptors: 3 LogP: 4.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nn(c2c1c(=O)[nH]c(n2)Cc1ccc(c(c1)OC)O)c1c(Cl)cc(cc1Cl)Cl
InChi: 1S/C21H17Cl3N4O3/c1-3-14-18-20(28(27-14)19-12(23)8-11(22)9-13(19)24)25-17(26-21(18)30)7-10-4-5-15(29)16(6-10)31-2/h4-6,8-9,29H,3,7H2,1-2H3,(H,25,26,30)
InChiKey: WMAATFOSBVBQSU-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
Homo sapiens	cyclin D1	Starlite/ChEMBL	References
Homo sapiens	cyclin E2	Starlite/ChEMBL	References
Homo sapiens	cyclin B3	Starlite/ChEMBL	References
Homo sapiens	cyclin B2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	CYC2-like cyclin, 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 B, putative	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
Echinococcus granulosus	G2:mitotic specific cyclin B3	Get druggable targets OG5_134175	All targets in OG5_134175
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma mansoni	cyclin B3	Get druggable targets OG5_134175	All targets in OG5_134175
Leishmania major	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma mansoni	cyclin B	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
Trichomonas vaginalis	cyclins, 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
Giardia lamblia	G2/mitotic-specific cyclin B	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
Trichomonas vaginalis	cyclins, 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
Loa Loa (eye worm)	cyclin domain-containing protein	Get druggable targets OG5_134175	All targets in OG5_134175
Onchocerca volvulus		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
Cryptosporidium parvum	cyclin	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
Trichomonas vaginalis	cyclin B, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Leishmania braziliensis	cyclin	Get druggable targets OG5_126649	All targets in OG5_126649
Echinococcus multilocularis	G2:mitotic specific cyclin B3	Get druggable targets OG5_134175	All targets in OG5_134175
Brugia malayi	Cyclin, N-terminal domain containing protein	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
Candida albicans	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Trypanosoma cruzi	cyclin, 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
Trypanosoma cruzi	cyclin, putative	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
Leishmania donovani	CYC2-like cyclin, putative	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126649	All targets in OG5_126649
Entamoeba histolytica	cyclin, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma japonicum	ko:K05868 cyclin B, putative	Get druggable targets OG5_134175	All targets in OG5_134175
Cryptosporidium hominis	mitotic cyclin-CYC2	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 major	CYC2-like cyclin, putative,cyclin 6, putative	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
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
Leishmania infantum	cyclin	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
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
Loa Loa (eye worm)	hypothetical protein	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
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_134175	All targets in OG5_134175
Leishmania donovani	cyclin	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	cyclins, putative	Get druggable targets OG5_126649	All targets in OG5_126649
Schistosoma japonicum	IPR002155,Thiolase,domain-containing	Get druggable targets OG5_134175	All targets in OG5_134175
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

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
Plasmodium vivax	vivapain-2	0.0364	0.2153	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.133	1	1
Schistosoma mansoni	cyclin B	0.0116	0.0142	0.0142
Onchocerca volvulus		0.0364	0.2153	1
Onchocerca volvulus		0.0364	0.2153	1
Echinococcus granulosus	cathepsin L	0.0206	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.0873	0.2823
Onchocerca volvulus	Cathepsin L homolog	0.0364	0.2153	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0364	0.2153	0.2153
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Schistosoma mansoni	cathepsin F (C01 family)	0.0364	0.2153	0.2153
Onchocerca volvulus	Cathepsin F homolog	0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0206	0.0873	0.0873
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0116	0.0142	0.0142
Loa Loa (eye worm)	cathepsin B	0.0479	0.3093	0.3093
Giardia lamblia	Cathepsin B precursor	0.0479	0.3093	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0364	0.2153	0.2153
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0206	0.0873	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trichomonas vaginalis	cyclin A, putative	0.0116	0.0142	0.0461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Trichomonas vaginalis	cyclin B, putative	0.0116	0.0142	0.0461
Echinococcus granulosus	cathepsin b	0.133	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.133	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0108	0.0076	0.0076
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.0873	0.0873
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.022	0.0989	0.0989
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.0873	0.2476
Loa Loa (eye worm)	hypothetical protein	0.0364	0.2153	0.2153
Trichomonas vaginalis	cyclin B, putative	0.0116	0.0142	0.0461
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.0873	0.0873
Onchocerca volvulus		0.0364	0.2153	1
Plasmodium vivax	unspecified product	0.0206	0.0873	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.0873	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0142	0.0142
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0479	0.3093	0.3093
Loa Loa (eye worm)	cysteine protease	0.0364	0.2153	0.2153
Brugia malayi	Cathepsin L-like precursor	0.0108	0.0076	0.0076
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0364	0.2153	0.2153
Entamoeba histolytica	cysteine proteinase, putative	0.0256	0.128	0.5946
Onchocerca volvulus	Cathepsin L homolog	0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0142	0.0142
Onchocerca volvulus		0.0256	0.128	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Echinococcus multilocularis	cathepsin b	0.133	1	1
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Echinococcus granulosus	cathepsin b	0.133	1	1
Echinococcus multilocularis	cysteine protease	0.0364	0.2153	0.2153
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Echinococcus granulosus	cyclin B	0.0116	0.0142	0.0142
Trichomonas vaginalis	cyclins, putative	0.0116	0.0142	0.0461
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0256	0.128	0.128
Onchocerca volvulus		0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0364	0.2153	0.6962
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma cruzi	cysteine peptidase, putative	0.0364	0.2153	0.2153
Loa Loa (eye worm)	cyclin domain-containing protein	0.022	0.0989	0.0989
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.0873	0.0873
Schistosoma mansoni	cyclin B3	0.022	0.0989	0.0989
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.0873	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0076	0.0076
Brugia malayi	cathepsin F-like cysteine proteinase	0.0108	0.0076	0.0076
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.0873	0.2476
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0479	0.3093	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0108	0.0076	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Giardia lamblia	G2/mitotic-specific cyclin B	0.0116	0.0142	0.0461
Loa Loa (eye worm)	ctsf protein	0.0364	0.2153	0.2153
Entamoeba histolytica	cysteine proteinase 2	0.0206	0.0873	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0479	0.3093	0.3093
Schistosoma mansoni	cathepsin F (C01 family)	0.0364	0.2153	0.2153
Toxoplasma gondii	cathepsin CPL	0.0364	0.2153	0.6962
Toxoplasma gondii	cathepsin B	0.0479	0.3093	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.128	0.128
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.0873	0.2823
Echinococcus multilocularis	cyclin B	0.0116	0.0142	0.0142
Onchocerca volvulus		0.0364	0.2153	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0076	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0256	0.128	0.414
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.0076	0.0076
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Plasmodium vivax	unspecified product	0.0108	0.0076	0.0355
Trypanosoma cruzi	cyclin 6, putative	0.0116	0.0142	0.0142
Loa Loa (eye worm)	fibroinase	0.0364	0.2153	0.2153
Trichomonas vaginalis	cyclins, putative	0.0116	0.0142	0.0461
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0364	0.2153	0.2153
Brugia malayi	Cyclin, N-terminal domain containing protein	0.022	0.0989	0.0989
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.0873	0.0873
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Echinococcus granulosus	cysteine protease	0.0206	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Giardia lamblia	Cathepsin B precursor	0.0479	0.3093	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.128	0.128
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma cruzi	cysteine peptidase, putative	0.0364	0.2153	0.2153
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.0873	0.4054
Entamoeba histolytica	cyclin, putative	0.0116	0.0142	0.0661
Brugia malayi	Cathepsin L-like precursor	0.0256	0.128	0.128
Trypanosoma cruzi	cysteine protease, putative	0.0206	0.0873	0.0873
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0116	0.0142	0.0142
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Loa Loa (eye worm)	hypothetical protein	0.0256	0.128	0.128
Trypanosoma cruzi	cyclin, putative	0.0116	0.0142	0.0142
Trypanosoma cruzi	cysteine peptidase, putative	0.0364	0.2153	0.2153
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0116	0.0142	0.0142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma cruzi	cysteine proteinase, putative	0.0206	0.0873	0.0873
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0364	0.2153	1
Onchocerca volvulus		0.0364	0.2153	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0256	0.128	0.414
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Plasmodium vivax	vivapain-1	0.0206	0.0873	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.0873	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma cruzi	cruzipain precursor, putative	0.0108	0.0076	0.0076
Echinococcus multilocularis	cathepsin L cysteine protease	0.0364	0.2153	0.2153
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0256	0.128	0.128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.133	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0206	0.0873	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0364	0.2153	0.2153
Brugia malayi	cathepsin L-like precursor	0.0256	0.128	0.128
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.0873	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Trypanosoma cruzi	cysteine peptidase, putative	0.0364	0.2153	0.2153
Onchocerca volvulus		0.0364	0.2153	1
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trypanosoma cruzi	cyclin, putative	0.0116	0.0142	0.0142
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Trichomonas vaginalis	cyclins, putative	0.0116	0.0142	0.0461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0364	0.2153	0.6962
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0206	0.0873	0.0873
Entamoeba histolytica	cysteine protease, putative	0.0364	0.2153	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Schistosoma mansoni	cathepsin F (C01 family)	0.0256	0.128	0.128
Brugia malayi	Cathepsin L-like precursor	0.0364	0.2153	0.2153
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0479	0.3093	1
Brugia malayi	Papain family cysteine protease containing protein	0.0364	0.2153	0.2153
Leishmania major	cysteine peptidase A (CPA)	0.0364	0.2153	0.6816
Plasmodium vivax	vivapain-3	0.0206	0.0873	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Echinococcus multilocularis	cathepsin b	0.133	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trichomonas vaginalis	cyclin B, putative	0.0116	0.0142	0.0461
Echinococcus multilocularis	cysteine protease	0.0364	0.2153	0.2153
Schistosoma mansoni	cathepsin s	0.0108	0.0076	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0206	0.0873	0.0873
Loa Loa (eye worm)	hypothetical protein	0.133	1	1
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.022	0.0989	0.0989
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0479	0.3093	1
Echinococcus granulosus	cathepsin l1	0.0256	0.128	0.128
Trichomonas vaginalis	cyclin B, putative	0.0116	0.0142	0.0461
Leishmania major	cathepsin L-like protease	0.0364	0.2153	0.6816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.133	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.133	1	1
Giardia lamblia	Cathepsin B precursor	0.0479	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0364	0.2153	0.6816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0364	0.2153	0.6962
Trichomonas vaginalis	cyclins, putative	0.0116	0.0142	0.0461
Brugia malayi	Cathepsin L-like precursor	0.0256	0.128	0.128
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0364	0.2153	0.2153
Echinococcus multilocularis	cathepsin L	0.0206	0.0873	0.0873
Echinococcus granulosus	cathepsin l1	0.0364	0.2153	0.2153
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0364	0.2153	0.2153
Echinococcus granulosus	cathepsin L cysteine protease	0.0206	0.0873	0.0873
Entamoeba histolytica	cysteine proteinase, putative	0.0364	0.2153	1
Entamoeba histolytica	cysteine proteinase, putative	0.0364	0.2153	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0364	0.2153	0.6962
Plasmodium vivax	vivapain-2	0.0364	0.2153	1
Onchocerca volvulus		0.0116	0.0142	0.0661
Echinococcus multilocularis	cathepsin L cysteine protease	0.0364	0.2153	0.2153
Entamoeba histolytica	cysteine protease, putative	0.0206	0.0873	0.4054

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.07 uM	Inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	15537345
IC50 (binding)	= 0.07 uM	Inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	15537345
IC50 (functional)	= 0.32 uM	Inhibition of human colon carcinoma cell (HCT116) proliferation	ChEMBL.	15537345
IC50 (functional)	= 0.32 uM	Inhibition of human colon carcinoma cell (HCT116) proliferation	ChEMBL.	15537345
IC50 (binding)	= 0.86 uM	Inhibition of Cyclin-dependent kinase 1-cyclin B	ChEMBL.	15537345
IC50 (binding)	= 0.86 uM	Inhibition of Cyclin-dependent kinase 1-cyclin B	ChEMBL.	15537345
IC50 (binding)	= 6.6 uM	Inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	15537345
IC50 (binding)	= 6.6 uM	Inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	15537345

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15537345

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 330242