TDR Targets

Basic information

Technical information

TDR Targets ID: 1424678
Name: (3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(1,3-benzodioxol -5-ylmethyl)-6-[(2S)-3-(furan-2-ylmethoxy)-2- hydroxypropoxy]imino-8,9-dihydroxy-4,5,5a,7,8 ,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3- dione
MW: 556.561 | Formula: C28H32N2O10
H donors: 3 H acceptors: 5 LogP: -0.07 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O[C@H](CO/N=C\1/C[C@@H](O)[C@H]([C@H]2[C@@H]1CC[C@H]1[C@H]2C(=O)N(C1=O)Cc1ccc2c(c1)OCO2)O)COCc1ccco1
InChi: 1S/C28H32N2O10/c31-16(11-36-13-17-2-1-7-37-17)12-40-29-20-9-21(32)26(33)24-18(20)4-5-19-25(24)28(35)30(27(19)34)10-15-3-6-22-23(8-15)39-14-38-22/h1-3,6-8,16,18-19,21,24-26,31-33H,4-5,9-14H2/b29-20-/t16-,18+,19-,21+,24-,25+,26+/m0/s1
InChiKey: HSLMINAHZCIXNG-ZGPCQGFOSA-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

(3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(1,3-benzodioxol-5-ylmethyl)-6-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propoxy]imino-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione
(3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(1,3-benzodioxol-5-ylmethyl)-6-[(2S)-3-(2-furylmethoxy)-2-hydroxypropoxy]imino-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione
(3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(1,3-benzodioxol-5-ylmethyl)-6-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propoxy]imino-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-quinone
(3aS,5aS,6Z,8R,9S,9aS,9bS)-2-(1,3-benzodioxol-5-ylmethyl)-6-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxy-propoxy]imino-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	cytochrome P450, putative	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
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	cytochrome p450-like protein	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
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	Cytochrome P450 family protein	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
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
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
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cathepsin F (C01 family)	0.0396	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0073	0.1349	0.1349
Brugia malayi	fibroinase precursor	0.0073	0.1349	0.1349
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Plasmodium vivax	serine-repeat antigen (SERA)	0.0073	0.1349	0.1349
Schistosoma mansoni	cathepsin B (C01 family)	0.0073	0.1349	0.1349
Onchocerca volvulus	Cathepsin L homolog	0.0073	0.1349	0.1323
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Plasmodium vivax	unspecified product	0.0073	0.1349	0.1349
Leishmania major	cathepsin L-like protease	0.0396	1	1
Echinococcus granulosus	RUN	0.0024	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0131	0.2898	0.2898
Loa Loa (eye worm)	hypothetical protein	0.0265	0.6493	0.6493
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0	0.5
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0396	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Brugia malayi	Cathepsin L-like precursor	0.0131	0.2898	0.2898
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Brugia malayi	Cathepsin L-like precursor	0.0265	0.6493	0.6493
Leishmania major	cathepsin L-like protease	0.0396	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0396	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.1349	0.1349
Plasmodium falciparum	serine repeat antigen 8	0.0073	0.1349	0.1349
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0204	0.4856	0.4856
Leishmania major	cathepsin L-like protease	0.0396	1	1
Giardia lamblia	Hypothetical protein	0.0073	0.1349	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.1349	0.1349
Echinococcus multilocularis	RUN	0.0024	0.0029	0.0029
Plasmodium falciparum	serine repeat antigen 5	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0396	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Echinococcus multilocularis	cathepsin b	0.0073	0.1349	0.1349
Toxoplasma gondii	cathepsin CPL	0.0396	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.1349	0.1349
Onchocerca volvulus	Cathepsin L homolog	0.0396	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0073	0.1349	0.1349
Brugia malayi	Papain family cysteine protease containing protein	0.0204	0.4856	0.4856
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Echinococcus granulosus	cathepsin L	0.0204	0.4856	0.4856
Brugia malayi	Papain family cysteine protease containing protein	0.0204	0.4856	0.4856
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0073	0.1349	0.1349
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0073	0.1349	0.1349
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0029	0.0029
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.1178	0.1178
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0265	0.6493	0.6493
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0024	0.0029	0.0029
Leishmania major	cathepsin L-like protease	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0073	0.1349	0.1349
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0029	0.0029
Entamoeba histolytica	cysteine proteinase 1, putative	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0204	0.4856	0.4856
Echinococcus granulosus	cathepsin l1	0.0396	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0073	0.1349	0.1349
Schistosoma mansoni	rab6-interacting	0.0024	0.0029	0.0029
Giardia lamblia	Cysteine protease	0.0073	0.1349	1
Plasmodium vivax	unspecified product	0.0131	0.2898	0.2898
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Toxoplasma gondii	cathepsin B	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.1349	0.1349
Schistosoma mansoni	polycystin 1-related	0.0024	0.0029	0.0029
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0396	1	1
Schistosoma mansoni	lipoxygenase	0.0024	0.0029	0.0029
Loa Loa (eye worm)	cysteine protease	0.0396	1	1
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0073	0.1349	0.1349
Plasmodium falciparum	serine repeat antigen 4	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine protease, putative	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Onchocerca volvulus		0.0396	1	1
Plasmodium falciparum	serine repeat antigen 6	0.0073	0.1349	0.1349
Onchocerca volvulus		0.0396	1	1
Brugia malayi	Cathepsin L-like precursor	0.0396	1	1
Leishmania major	cathepsin L-like protease	0.0396	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0073	0.1349	0.1349
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.1178	0.1178
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0396	1	1
Onchocerca volvulus		0.0073	0.1349	0.1323
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0204	0.4856	0.4856
Brugia malayi	Cathepsin L-like precursor	0.0265	0.6493	0.6493
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0029	0.0029
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0073	0.1349	0.1349
Brugia malayi	cathepsin F-like cysteine proteinase	0.0131	0.2898	0.2898
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Plasmodium vivax	vivapain-3	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Brugia malayi	Doublecortin family protein	0.0024	0.0029	0.0029
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0073	0.1349	0.1349
Brugia malayi	hypothetical protein	0.0024	0.0029	0.0029
Plasmodium falciparum	serine repeat antigen 3	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0131	0.2898	0.2898
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0131	0.2898	0.2898
Echinococcus granulosus	cathepsin l1	0.0265	0.6493	0.6493
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Plasmodium vivax	vivapain-2	0.0396	1	1
Giardia lamblia	Cathepsin L-like protease	0.0073	0.1349	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0073	0.1349	0.1349
Schistosoma mansoni	cathepsin C	0.0073	0.1349	0.1349
Entamoeba histolytica	hypothetical protein	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Brugia malayi	cathepsin L-like precursor	0.0265	0.6493	0.6493
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0396	1	1
Onchocerca volvulus		0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0396	1	1
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Leishmania major	cathepsin L-like protease	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0073	0.1349	0.1349
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0073	0.1349	0.1349
Echinococcus granulosus	cathepsin L cysteine protease	0.0204	0.4856	0.4856
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0265	0.6493	0.6493
Loa Loa (eye worm)	cathepsin B	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine proteinase, putative	0.0204	0.4856	0.4856
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0265	0.6493	0.6493
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase, putative	0.0131	0.2898	0.2898
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0029	0.0029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.6493	0.6493
Echinococcus multilocularis	cysteine protease	0.0396	1	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Plasmodium falciparum	serine repeat antigen 1	0.0073	0.1349	0.1349
Onchocerca volvulus	Cathepsin L homolog	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase, putative	0.0204	0.4856	0.4856
Echinococcus multilocularis	cathepsin L	0.0073	0.1349	0.1349
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0029	0.0029
Trypanosoma cruzi	cruzipain precursor, putative	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0029	0.0029
Plasmodium vivax	vivapain-2	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.1349	0.1349
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0396	1	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0073	0.1349	0.1349
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0131	0.2898	0.2898
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.1349	0.1349
Onchocerca volvulus		0.0265	0.6493	0.6482
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0073	0.1349	0.1349
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.1349	0.1349
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0073	0.1349	0.1349
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Schistosoma mansoni	lipoxygenase	0.0067	0.1178	0.1178
Entamoeba histolytica	cysteine proteinase, putative	0.0396	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Loa Loa (eye worm)	fibroinase	0.0396	1	1
Giardia lamblia	Encystation-specific protease	0.0073	0.1349	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0396	1	1
Giardia lamblia	Cathepsin L-like protease	0.0073	0.1349	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Giardia lamblia	Cathepsin L precursor	0.0073	0.1349	1
Loa Loa (eye worm)	ctsf protein	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Entamoeba histolytica	cysteine proteinase 2	0.0204	0.4856	0.4856
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0204	0.4856	0.4856
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0396	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0396	1	1
Giardia lamblia	Cysteine protease	0.0073	0.1349	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0396	1	1
Plasmodium vivax	unspecified product	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.1349	0.1349
Schistosoma mansoni	hypothetical protein	0.0024	0.0029	0.0029
Echinococcus granulosus	cathepsin L	0.0073	0.1349	0.1349
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0204	0.4856	0.4856
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0073	0.1349	0.1349
Toxoplasma gondii	cathepsin CPC1	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0073	0.1349	0.1349
Plasmodium falciparum	LCCL domain-containing protein	0.0024	0.0029	0.0029
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0073	0.1349	1
Brugia malayi	hypothetical protein	0.0024	0.0029	0.0029
Brugia malayi	Cathepsin L-like precursor	0.0396	1	1
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0073	0.1349	0.1349
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0	0.5
Plasmodium falciparum	serine repeat antigen 2	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase, putative	0.0396	1	1
Echinococcus granulosus	cathepsin b	0.0073	0.1349	0.1349
Echinococcus granulosus	cysteine protease	0.0204	0.4856	0.4856
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0204	0.4856	0.4856
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Entamoeba histolytica	cysteine proteinase, putative	0.0204	0.4856	0.4856
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0029	0.0029
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0073	0.1349	0.1349
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0073	0.1349	0.1349
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0073	0.1349	0.1349
Brugia malayi	Cathepsin L-like precursor	0.0396	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0073	0.1349	1
Entamoeba histolytica	cysteine proteinase, putative	0.0396	1	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Entamoeba histolytica	cysteine proteinase, putative	0.0204	0.4856	0.4856
Echinococcus multilocularis	cathepsin L	0.0204	0.4856	0.4856
Onchocerca volvulus	Cathepsin F homolog	0.0396	1	1
Giardia lamblia	Cathepsin B precursor	0.0073	0.1349	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.1349	0.1349
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0204	0.4856	0.4856
Trypanosoma cruzi	cysteine peptidase, putative	0.0396	1	1
Toxoplasma gondii	cathepsin CPC2	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.6493	0.6493
Plasmodium vivax	serine-repeat antigen (SERA)	0.0073	0.1349	0.1349
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0204	0.4856	0.4856
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0073	0.1349	0.1349
Giardia lamblia	Hypothetical protein	0.0073	0.1349	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0396	1	1
Schistosoma mansoni	cathepsin s	0.0131	0.2898	0.2898
Plasmodium falciparum	serine repeat antigen 7	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Brugia malayi	Cathepsin L-like precursor	0.0396	1	1
Echinococcus multilocularis	cysteine protease	0.0396	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0073	0.1349	1
Leishmania major	cathepsin L-like protease	0.0396	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0396	1	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0073	0.1349	0.1349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0131	0.2898	0.2898
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0396	1	1
Echinococcus multilocularis	cathepsin b	0.0073	0.1349	0.1349
Entamoeba histolytica	cysteine protease, putative	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0204	0.4856	0.4856
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Giardia lamblia	Cysteine protease	0.0073	0.1349	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0073	0.1349	0.1349
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0073	0.1349	0.1349
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0029	0.0029
Onchocerca volvulus		0.0396	1	1
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0073	0.1349	1
Entamoeba histolytica	cysteine protease, putative	0.0204	0.4856	0.4856
Entamoeba histolytica	cysteine protease, putative	0.0396	1	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Schistosoma mansoni	loxhd1	0.0024	0.0029	0.0029
Leishmania major	cathepsin L-like protease	0.0396	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0396	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Onchocerca volvulus		0.0396	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0265	0.6493	0.6493
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0073	0.1349	0.1349
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0396	1	1
Plasmodium falciparum	serine repeat antigen 9	0.0073	0.1349	0.1349
Echinococcus granulosus	cathepsin b	0.0073	0.1349	0.1349
Onchocerca volvulus		0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0265	0.6493	0.6493
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0131	0.2898	0.2898
Schistosoma mansoni	cathepsin F (C01 family)	0.0396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1349	0.1349
Giardia lamblia	Cysteine protease	0.0073	0.1349	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0265	0.6493	0.6493
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0073	0.1349	0.1349
Trypanosoma cruzi	cysteine proteinase, putative	0.0204	0.4856	0.4856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0396	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0073	0.1349	0.1349
Schistosoma mansoni	rab6-interacting	0.0024	0.0029	0.0029
Onchocerca volvulus		0.0396	1	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0073	0.1349	0.1349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0073	0.1349	0.1349
Echinococcus multilocularis	cathepsin L cysteine protease	0.0396	1	1
Plasmodium vivax	vivapain-1	0.0204	0.4856	0.4856
Brugia malayi	cathepsin L precursor	0.0073	0.1349	0.1349

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-cyp2c19 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)	= 3.16227766 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
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1551571

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1424678