TDR Targets

Basic information

Technical information

TDR Targets ID: 1450939
Name: 3-hydroxy-6,6-dimethyl-1-(phenylmethyl)-3-(tr ifluoromethyl)-5,7-dihydroindole-2,4-dione
MW: 353.336 | Formula: C18H18F3NO3
H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CC(C)(C)CC2=C1C(O)(C(=O)N2Cc1ccccc1)C(F)(F)F
InChi: 1S/C18H18F3NO3/c1-16(2)8-12-14(13(23)9-16)17(25,18(19,20)21)15(24)22(12)10-11-6-4-3-5-7-11/h3-7,25H,8-10H2,1-2H3
InChiKey: UHMFIHJNVPDKQO-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

1-(benzyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-quinone
MLS000519403
SMR000129822

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mothers against decapentaplegic 5	0.0151	0.0621	0.2035
Brugia malayi	TAR-binding protein	0.0663	0.2946	0.2946
Loa Loa (eye worm)	MH2 domain-containing protein	0.0151	0.0621	0.0621
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0079	0.0079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Plasmodium falciparum	ataxin-2 like protein, putative	0.0105	0.0413	0.5013
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0156	0.0644	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0102	0.04	0.0888
Loa Loa (eye worm)	MH1 domain-containing protein	0.0151	0.0621	0.0621
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0156	0.0644	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0067	0.0238	0.0721
Brugia malayi	hypothetical protein	0.0068	0.0244	0.0244
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Brugia malayi	Probable ClpP-like protease	0.0156	0.0644	0.0644
Schistosoma mansoni	Smad4	0.0151	0.0621	0.2035
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0151	0.0621	0.2035
Entamoeba histolytica	hypothetical protein	0.0107	0.042	0.2821
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0067	0.0238	0.031
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0067	0.0238	0.1057
Echinococcus granulosus	geminin	0.0168	0.0699	0.2301
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0102	0.04	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0088	0.0088
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0342	0.149	1
Schistosoma mansoni	Smad4	0.0067	0.0242	0.0735
Brugia malayi	calpain 7	0.002	0.0028	0.0028
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0067	0.0238	0.0001
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.016	0.0664	0.2179
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0242	0.0242
Schistosoma mansoni	smad1 5 8 and	0.0151	0.0621	0.2035
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0023	0.0023
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0067	0.0238	0.1258
Schistosoma mansoni	tar DNA-binding protein	0.0663	0.2946	1
Schistosoma mansoni	smad	0.0067	0.0242	0.0735
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0047	0.015	0.0418
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0067	0.0242	0.2178
Brugia malayi	isocitrate dehydrogenase	0.0067	0.0238	0.0238
Loa Loa (eye worm)	Smad1	0.0151	0.0621	0.0621
Schistosoma mansoni	hypothetical protein	0.016	0.0664	0.2179
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0152	0.0152
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0107	0.042	0.1345
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.0028	0.067
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.016	0.0664	0.2179
Loa Loa (eye worm)	MH2 domain-containing protein	0.0067	0.0242	0.0242
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0156	0.0644	0.2465
Entamoeba histolytica	hypothetical protein	0.0107	0.042	0.2821
Plasmodium falciparum	ornithine aminotransferase	0.0067	0.0238	0.1258
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Schistosoma mansoni	Smad4	0.0067	0.0242	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0644	0.0644
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0067	0.0238	0.5767
Trypanosoma brucei	PAB1-binding protein , putative	0.0105	0.0413	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.0797	0.0797
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0067	0.0238	0.0721
Brugia malayi	hypothetical protein	0.0105	0.0413	0.0413
Mycobacterium tuberculosis	Probable aminotransferase	0.0469	0.2064	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0067	0.0238	0.0721
Brugia malayi	MH1 domain containing protein	0.0151	0.0621	0.0621
Brugia malayi	mothers against decapentaplegic homolog 3	0.0067	0.0242	0.0242
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0067	0.0238	0.1057
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0151	0.0621	0.2035
Brugia malayi	N-terminal motif family protein	0.019	0.0797	0.0797
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.0191	0.0558
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0023	0.0023
Schistosoma mansoni	hypothetical protein	0.0047	0.015	0.0418
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0023	0.0546
Brugia malayi	Isocitrate dehydrogenase	0.0067	0.0238	0.0238
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0054	0.018	0.2467
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0067	0.0238	0.0721
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0028	0.067
Loa Loa (eye worm)	hypothetical protein	0.0054	0.018	0.018
Loa Loa (eye worm)	calpain family protein 1	0.004	0.0115	0.0115
Brugia malayi	Smad1	0.0151	0.0621	0.0621
Schistosoma mansoni	hypothetical protein	0.0107	0.042	0.1345
Brugia malayi	latrophilin 2 splice variant baaae	0.0346	0.1508	0.1508
Schistosoma mansoni	tar DNA-binding protein	0.0663	0.2946	1
Leishmania major	cytochrome p450-like protein	0.0019	0.0023	0.0546
Brugia malayi	MH1 domain containing protein	0.0151	0.0621	0.0621
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0067	0.0242	0.0735
Schistosoma mansoni	hypothetical protein	0.0168	0.0699	0.2301
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0023	0.0023
Brugia malayi	hypothetical protein	0.0107	0.042	0.042
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0102	0.04	0.0888
Echinococcus granulosus	peptidase Clp S14 family	0.0102	0.04	0.1276
Echinococcus multilocularis	smad	0.0151	0.0621	0.2035
Brugia malayi	MH1 domain containing protein	0.0084	0.0315	0.0315
Plasmodium vivax	ornithine aminotransferase, putative	0.0067	0.0238	0.3415
Loa Loa (eye worm)	MH2 domain-containing protein	0.2216	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0663	0.2946	0.2946
Schistosoma mansoni	smad1 5 8 and	0.0151	0.0621	0.2035
Schistosoma mansoni	hypothetical protein	0.0346	0.1508	0.5074
Brugia malayi	Latrophilin receptor protein 2	0.016	0.0664	0.0664
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0067	0.0238	0.5767
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0067	0.0238	0.1252
Trypanosoma brucei	cytochrome P450, putative	0.0019	0.0023	0.0546
Plasmodium vivax	ataxin-2 like protein, putative	0.0105	0.0413	0.6244
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0097	0.0378	0.2536
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0067	0.0238	0.1057
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0023	0.0023
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0047	0.015	0.0418
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.016	0.0664	0.2179
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0067	0.0238	0.0721
Schistosoma mansoni	hypothetical protein	0.016	0.0664	0.2179
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0067	0.0238	0.0721
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0191	0.0558
Echinococcus granulosus	mothers against decapentaplegic 6	0.0067	0.0242	0.0735
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	0.3046
Brugia malayi	MH2 domain containing protein	0.0151	0.0621	0.0621
Brugia malayi	RNA binding protein	0.0663	0.2946	0.2946
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	1
Leishmania major	hypothetical protein, conserved	0.0105	0.0413	1
Brugia malayi	MH2 domain containing protein	0.0067	0.0242	0.0242
Brugia malayi	calpain family protein 1	0.0054	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0315	0.0315
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Loa Loa (eye worm)	transcription factor SMAD2	0.2216	1	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0191	0.0558
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0469	0.2064	0.5
Echinococcus multilocularis	ornithine aminotransferase	0.0067	0.0238	0.0721
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0067	0.0238	0.031
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.016	0.0664	0.0664
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	1
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0067	0.0242	0.0735
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0107	0.042	0.1345
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	1
Echinococcus multilocularis	geminin	0.0168	0.0699	0.2301
Echinococcus granulosus	mothers against decapentaplegic 2	0.0067	0.0242	0.0735
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0102	0.04	0.117
Loa Loa (eye worm)	hypothetical protein	0.004	0.0115	0.0115
Echinococcus multilocularis	calpain A	0.0056	0.0191	0.0558
Echinococcus granulosus	tar DNA binding protein	0.0663	0.2946	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0079	0.0079
Echinococcus granulosus	GPCR family 2	0.016	0.0664	0.2179
Loa Loa (eye worm)	hypothetical protein	0.016	0.0664	0.0664
Schistosoma mansoni	transcription factor LCR-F1	0.0107	0.042	0.1345
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.016	0.0664	0.2179
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0507	0.2236	0.2236
Loa Loa (eye worm)	nuclear factor I	0.0084	0.0315	0.0315
Brugia malayi	MH1 domain containing protein	0.0084	0.0315	0.0315
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0067	0.0238	0.5767
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0413	0.0413
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0663	0.2946	0.2946
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0507	0.2236	0.2236
Loa Loa (eye worm)	MH1 domain-containing protein	0.0067	0.0242	0.0242
Mycobacterium ulcerans	hypothetical protein	0.0469	0.2064	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Echinococcus multilocularis	tar DNA binding protein	0.0663	0.2946	1
Echinococcus granulosus	Aminotransferase class III	0.0067	0.0238	0.0721
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0469	0.2064	1
Mycobacterium ulcerans	L-lysine aminotransferase	0.0067	0.0238	0.1057
Loa Loa (eye worm)	latrophilin receptor protein 2	0.016	0.0664	0.0664
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0067	0.0238	0.1057
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0151	0.0621	0.2035
Toxoplasma gondii	isocitrate dehydrogenase	0.0067	0.0238	0.1252
Schistosoma mansoni	tar DNA-binding protein	0.0663	0.2946	1
Echinococcus granulosus	Smad4	0.0151	0.0621	0.2035
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0067	0.0238	0.0001
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0023	0.0546
Loa Loa (eye worm)	RNA binding protein	0.0663	0.2946	0.2946
Echinococcus granulosus	ornithine aminotransferase	0.0067	0.0238	0.0721
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0028	0.067
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0028	0.067
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0067	0.0238	0.0721
Schistosoma mansoni	smad	0.0151	0.0621	0.2035
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0469	0.2064	1
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0469	0.2064	1
Entamoeba histolytica	hypothetical protein	0.0107	0.042	0.2821
Echinococcus multilocularis	ornithine aminotransferase	0.0067	0.0238	0.0721
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0151	0.0621	0.2035
Echinococcus multilocularis	calpain family protein 1, d	0.004	0.0115	0.03
Trypanosoma cruzi	PAB1-binding protein , putative	0.0105	0.0413	1
Echinococcus granulosus	smad	0.0151	0.0621	0.2035
Brugia malayi	calpain family protein 1	0.0054	0.018	0.018
Echinococcus granulosus	calpain A	0.0056	0.0191	0.0558
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0507	0.2236	0.2236
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0067	0.0238	0.5767
Loa Loa (eye worm)	TAR-binding protein	0.0663	0.2946	0.2946
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0067	0.0238	0.0001
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0156	0.0644	0.2113
Trypanosoma cruzi	PAB1-binding protein , putative	0.0105	0.0413	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0105	0.0413	0.5013
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Brugia malayi	MH2 domain containing protein	0.0151	0.0621	0.0621
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0067	0.0238	0.0238
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0067	0.0238	0.0721
Giardia lamblia	DNA repair protein RAD52	0.0342	0.149	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0067	0.0238	0.1252
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0067	0.0238	0.031
Echinococcus multilocularis	Aminotransferase class III	0.0067	0.0238	0.0721
Trypanosoma brucei	antigen, putative	0.002	0.0028	0.067
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	0.3046
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0156	0.0644	1
Entamoeba histolytica	hypothetical protein	0.0107	0.042	0.2821
Schistosoma mansoni	hypothetical protein	0.016	0.0664	0.2179
Schistosoma mansoni	peptidase Clp (S14 family)	0.0156	0.0644	0.2113
Loa Loa (eye worm)	calpain family protein 1	0.0054	0.018	0.018
Entamoeba histolytica	hypothetical protein	0.0097	0.0378	0.2536
Loa Loa (eye worm)	calpain	0.002	0.0028	0.0028
Schistosoma mansoni	smad1 5 8 and	0.0151	0.0621	0.2035
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0028	0.067
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0067	0.0238	0.1057
Echinococcus multilocularis	GPCR, family 2	0.016	0.0664	0.2179
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0067	0.0238	0.0001
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0067	0.0238	0.3411
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0028	0.067
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0023	0.0023
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0067	0.0238	0.0238
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.019	0.0797	1
Schistosoma mansoni	tar DNA-binding protein	0.0663	0.2946	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0156	0.0644	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0028	0.067
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.0191	0.0558
Echinococcus multilocularis	Smad4	0.0151	0.0621	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0346	0.1508	0.1508
Schistosoma mansoni	hypothetical protein	0.0168	0.0699	0.2301
Schistosoma mansoni	tar DNA-binding protein	0.0663	0.2946	1
Loa Loa (eye worm)	hypothetical protein	0.0507	0.2236	0.2236
Schistosoma mansoni	hypothetical protein	0.016	0.0664	0.2179
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0054	0.018	0.052
Toxoplasma gondii	LsmAD domain-containing protein	0.0105	0.0413	0.5013
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0067	0.0238	0.5767
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0156	0.0644	0.2113

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1.995262315 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 19.95262315 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
EC50 (binding)	> 112.219 um	PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)]	ChEMBL.	No reference
Potency (functional)	0.0928 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)	14.7157 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)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1587776

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1450939