TDR Targets

Basic information

Technical information

TDR Targets ID: 1558152
Name: 4-pentyl-1,2-dihydroimidazo[2,1-b]benzimidazo le hydrobromide
MW: 310.233 | Formula: C14H20BrN3
H donors: 0 H acceptors: 0 LogP: 3.37 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCn1c2=NCCn2c2c1cccc2.Br
InChi: 1S/C14H19N3.BrH/c1-2-3-6-10-16-12-7-4-5-8-13(12)17-11-9-15-14(16)17;/h4-5,7-8H,2-3,6,9-11H2,1H3;1H
InChiKey: QSYDQQBONDMNFG-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

4-amyl-1,2-dihydroimidazo[2,1-b]benzimidazole hydrobromide
9-pentyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
MLS000548052
SMR000113985

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chromobox homolog 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Mus musculus	transient receptor potential cation channel, subfamily C, member 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	TRP (transient receptor potential) channel	Get druggable targets OG5_128782	All targets in OG5_128782
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Onchocerca volvulus		Get druggable targets OG5_129545	All targets in OG5_129545
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Chromobox protein homolog 5, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Onchocerca volvulus	Heterochromatin protein 1 homolog	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	TRP transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Loa Loa (eye worm)	heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Theileria parva	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	transient receptor potential channel 4	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Transient receptor potential-gamma protein, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Brugia malayi	Heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Brugia malayi	Transient-receptor-potential like protein	Get druggable targets OG5_128782	All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	short transient receptor potential channel 6	transient receptor potential cation channel, subfamily C, member 4	890 aa	799 aa	31.2 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0592	1	1
Schistosoma mansoni	transient receptor potential channel	0.0078	0.073	0.023
Schistosoma mansoni	hypothetical protein	0.0205	0.3019	0.2642
Loa Loa (eye worm)	hypothetical protein	0.0592	1	1
Giardia lamblia	Cathepsin B precursor	0.0207	0.3062	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0849	0.2313
Loa Loa (eye worm)	hypothetical protein	0.0074	0.066	0.066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus granulosus	transient receptor potential gamma protein	0.0117	0.1445	0.1342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.0772	0.2044
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0849	0.0849
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0207	0.3062	1
Plasmodium vivax	vivapain-2	0.0111	0.1328	1
Echinococcus granulosus	cysteine protease	0.0065	0.0512	0.0398
Onchocerca volvulus		0.008	0.0772	0.581
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0592	1	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.073	0.0618
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0592	1	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.073	0.0618
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0512	0.1141
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0248	0.1867
Giardia lamblia	Cathepsin B precursor	0.0207	0.3062	0.5
Schistosoma mansoni	chromobox protein	0.0084	0.0849	0.0355
Trypanosoma cruzi	cysteine peptidase, putative	0.0111	0.1328	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus multilocularis	cathepsin L cysteine protease	0.0111	0.1328	0.1224
Echinococcus granulosus	cathepsin l1	0.008	0.0772	0.066
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0183	0.1381
Echinococcus multilocularis	transient receptor potential gamma protein	0.0117	0.1445	0.1342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Entamoeba histolytica	cysteine proteinase, putative	0.0111	0.1328	1
Loa Loa (eye worm)	cysteine protease	0.0111	0.1328	0.1328
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0111	0.1328	0.1224
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0849	0.2313
Brugia malayi	Heterochromatin protein 1	0.0084	0.0849	0.0739
Echinococcus granulosus	transient receptor potential ion channel A	0.0113	0.1375	0.127
Onchocerca volvulus		0.0111	0.1328	1
Echinococcus granulosus	chromobox protein 1	0.0084	0.0849	0.0739
Schistosoma mansoni	transient receptor potential channel 4	0.0117	0.1445	0.0983
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Onchocerca volvulus		0.0111	0.1328	1
Onchocerca volvulus		0.0111	0.1328	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0111	0.1328	0.086
Echinococcus multilocularis	cysteine protease	0.0111	0.1328	0.1224
Loa Loa (eye worm)	hypothetical protein	0.008	0.0772	0.0772
Trypanosoma cruzi	cysteine peptidase, putative	0.0111	0.1328	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Brugia malayi	chromobox protein homolog 3	0.0047	0.0183	0.0065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0111	0.1328	0.3977
Onchocerca volvulus		0.0111	0.1328	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0119	0.0119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Loa Loa (eye worm)	hypothetical protein	0.004	0.0049	0.0049
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0849	0.0739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0207	0.3062	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0111	0.1328	0.1328
Plasmodium vivax	vivapain-2	0.0111	0.1328	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Schistosoma mansoni	cathepsin F (C01 family)	0.008	0.0772	0.0274
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.008	0.0772	0.0274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Onchocerca volvulus	Cathepsin F homolog	0.0111	0.1328	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0111	0.1328	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0207	0.3062	0.2688
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus multilocularis	transient receptor potential ion channel A	0.0113	0.1375	0.127
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0111	0.1328	0.1224
Onchocerca volvulus		0.0111	0.1328	1
Brugia malayi	Cathepsin L-like precursor	0.008	0.0772	0.066
Loa Loa (eye worm)	fibroinase	0.0111	0.1328	0.1328
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0512	0.0398
Echinococcus granulosus	cathepsin b	0.0592	1	1
Schistosoma mansoni	chromobox protein	0.0084	0.0849	0.0355
Echinococcus multilocularis	cysteine protease	0.0111	0.1328	0.1224
Schistosoma mansoni	transient receptor potential channel	0.0078	0.073	0.023
Schistosoma mansoni	hypothetical protein	0.0205	0.3019	0.2642
Onchocerca volvulus	Cathepsin L homolog	0.0111	0.1328	1
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0248	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1328	0.1328
Echinococcus multilocularis	cathepsin b	0.0592	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0111	0.1328	0.086
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0592	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Echinococcus granulosus	cathepsin b	0.0592	1	1
Brugia malayi	cathepsin L-like precursor	0.008	0.0772	0.066
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0183	0.0183
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Onchocerca volvulus		0.0111	0.1328	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Entamoeba histolytica	cysteine protease, putative	0.0111	0.1328	1
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.073	0.0618
Entamoeba histolytica	cysteine proteinase, putative	0.0111	0.1328	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0111	0.1328	0.1328
Giardia lamblia	Cathepsin B precursor	0.0207	0.3062	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.0772	0.0772
Onchocerca volvulus	Cathepsin L homolog	0.0111	0.1328	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0111	0.1328	0.1224
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0592	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1445	0.1445
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0512	0.1141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Loa Loa (eye worm)	cathepsin B	0.0207	0.3062	0.3062
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0111	0.1328	1
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Echinococcus granulosus	geminin	0.0205	0.3019	0.2935
Echinococcus multilocularis	cathepsin L	0.0065	0.0512	0.0398
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus granulosus	chromobox protein 1	0.0084	0.0849	0.0739
Brugia malayi	Cathepsin L-like precursor	0.008	0.0772	0.066
Echinococcus granulosus	cathepsin l1	0.0111	0.1328	0.1224
Toxoplasma gondii	cathepsin B	0.0207	0.3062	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.0772	0.2044
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0849	0.0739
Brugia malayi	Cathepsin L-like cysteine proteinase	0.008	0.0772	0.066
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0111	0.1328	0.1224
Echinococcus granulosus	cathepsin L cysteine protease	0.0065	0.0512	0.0398
Echinococcus multilocularis	geminin	0.0205	0.3019	0.2935
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0207	0.3062	1
Entamoeba histolytica	cysteine proteinase, putative	0.008	0.0772	0.3182
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0111	0.1328	0.1224
Echinococcus granulosus	cathepsin L	0.0065	0.0512	0.0398
Brugia malayi	Papain family cysteine protease containing protein	0.0111	0.1328	0.1224
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0207	0.3062	0.2688
Loa Loa (eye worm)	hypothetical protein	0.008	0.0772	0.0772
Schistosoma mansoni	transient receptor potential channel	0.0117	0.1445	0.0983
Schistosoma mansoni	cathepsin F (C01 family)	0.0111	0.1328	0.086
Onchocerca volvulus		0.0111	0.1328	1
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0248	0.0224
Schistosoma mansoni	cathepsin F (C01 family)	0.0111	0.1328	0.086
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0111	0.1328	1
Brugia malayi	Cathepsin L-like precursor	0.0111	0.1328	0.1224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0111	0.1328	0.3201
Loa Loa (eye worm)	ctsf protein	0.0111	0.1328	0.1328
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.1328	0.3977
Trypanosoma cruzi	cruzipain precursor, putative	0.0111	0.1328	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0111	0.1328	0.3977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0111	0.1328	0.3977
Echinococcus multilocularis	cathepsin b	0.0592	1	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.073	0.0618
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0512	0.0398

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	0.8413 uM	PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256]	ChEMBL.	No reference
Potency (functional)	0.1158 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.5174 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	5.8584 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1731895

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1558152