TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.393 | Formula: C20H22FNO2
H donors: 1 H acceptors: 2 LogP: 3.04 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]([C@H]1[C@H](CC(=O)N1C)c1ccccc1)CCc1ccc(cc1)F
InChi: 1S/C20H22FNO2/c1-22-19(24)13-17(15-5-3-2-4-6-15)20(22)18(23)12-9-14-7-10-16(21)11-8-14/h2-8,10-11,17-18,20,23H,9,12-13H2,1H3/t17-,18+,20-/m1/s1
InChiKey: JQZGKSBVNFBIJP-WSTZPKSXSA-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	hydroxysteroid (17-beta) dehydrogenase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	hydroxysteroid (17-beta) dehydrogenase 2	387 aa	359 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Brugia malayi	beta-lactamase family protein	0.0037	0.066	0.066
Toxoplasma gondii	ABC1 family protein	0.0037	0.066	0.0928
Echinococcus granulosus	cathepsin L cysteine protease	0.0034	0.0563	0.0563
Plasmodium falciparum	serine repeat antigen 2	0.002	0.0012	0.0017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Echinococcus granulosus	cyclin B3 1	0.0164	0.5573	0.5573
Echinococcus granulosus	cyclins	0.004	0.0771	0.0771
Schistosoma mansoni	cathepsin F (C01 family)	0.0055	0.1371	0.1371
Trypanosoma cruzi	cyclin, putative	0.0279	1	1
Trypanosoma brucei	mitotic cyclin 6	0.0279	1	1
Brugia malayi	cathepsin L-like precursor	0.0041	0.082	0.082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0055	0.1371	0.136
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.066	0.0649
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.002	0.0012	0.0012
Onchocerca volvulus		0.0055	0.1371	0.1371
Trichomonas vaginalis	CMGC family protein kinase	0.0201	0.6992	0.6988
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0771	0.076
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0055	0.1371	0.1371
Plasmodium vivax	protein kinase Crk2	0.0201	0.6992	1
Onchocerca volvulus		0.0055	0.1371	0.1371
Entamoeba histolytica	cysteine proteinase 1, putative	0.0034	0.0563	0.0551
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0201	0.6992	0.6992
Toxoplasma gondii	cyclin dependent kinase binding protein	0.004	0.0771	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Schistosoma mansoni	cathepsin B (C01 family)	0.002	0.0012	0.0012
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0563	0.0563
Echinococcus granulosus	cathepsin l1	0.0055	0.1371	0.1371
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.002	0.0012	0.0017
Loa Loa (eye worm)	fibroinase	0.0055	0.1371	0.1371
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.002	0.0012	0.0017
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Plasmodium vivax	unspecified product	0.002	0.0012	0.0017
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Echinococcus multilocularis	cyclin dependent kinase 1	0.0201	0.6992	0.6992
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.004	0.0771	0.1103
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Echinococcus granulosus	cyclins	0.0164	0.5573	0.5573
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.1371	0.136
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.002	0.0012	0.0017
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0201	0.6992	0.6779
Schistosoma mansoni	lipoxygenase	0.0082	0.2405	0.2405
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.004	0.0771	0.0771
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.014	0.4619	0.4613
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0201	0.6992	0.6992
Echinococcus multilocularis	cyclin A3 4	0.004	0.0771	0.0771
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.002	0.0012	0.0017
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Echinococcus granulosus	Cyclin L1	0.004	0.0771	0.0771
Plasmodium vivax	cyclin homologue, putative	0.004	0.0771	0.1103
Brugia malayi	cathepsin L precursor	0.002	0.0012	0.0012
Echinococcus granulosus	G1:S specific cyclin D1	0.004	0.0771	0.0771
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Entamoeba histolytica	cyclin, domain containing protein	0.004	0.0771	0.076
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.004	0.0771	0.1103
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Echinococcus multilocularis	cyclin k	0.004	0.0771	0.0771
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.004	0.0771	0.0771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0055	0.1371	0.136
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.0563	0.0551
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.014	0.4619	0.4613
Trypanosoma brucei	cyclin 9	0.004	0.0771	0.0221
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0034	0.0563	0.0805
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.066	0.5
Trypanosoma brucei	mitotic cyclin	0.004	0.0771	0.0221
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Schistosoma mansoni	serine/threonine protein kinase	0.0201	0.6992	0.6992
Echinococcus granulosus	cyclins	0.0164	0.5573	0.5573
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0563	0.0551
Echinococcus granulosus	cyclin dependent kinase 1	0.0201	0.6992	0.6992
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0563	0.0551
Echinococcus multilocularis	cyclin G2	0.004	0.0771	0.0771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.082	0.0809
Entamoeba histolytica	cell division protein kinase 2, putative	0.0201	0.6992	0.6988
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Plasmodium vivax	serine-repeat antigen (SERA)	0.002	0.0012	0.0017
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Onchocerca volvulus		0.0037	0.066	0.066
Echinococcus multilocularis	cathepsin L cysteine protease	0.0055	0.1371	0.1371
Brugia malayi	hypothetical protein	0.004	0.0771	0.0771
Brugia malayi	MH2 domain containing protein	0.024	0.85	0.85
Trichomonas vaginalis	cyclins, putative	0.0279	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.066	0.0649
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.1371	0.136
Onchocerca volvulus	Cathepsin L homolog	0.0055	0.1371	0.1371
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Trypanosoma cruzi	cdc2-related kinase 3	0.0201	0.6992	0.6988
Trypanosoma cruzi	cyclin, putative	0.0279	1	1
Giardia lamblia	Cathepsin B precursor	0.014	0.4619	0.4613
Echinococcus multilocularis	cyclin B	0.0279	1	1
Echinococcus multilocularis	cyclin t1	0.004	0.0771	0.0771
Plasmodium vivax	vivapain-1	0.0034	0.0563	0.0805
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Echinococcus granulosus	cyclin	0.004	0.0771	0.0771
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.002	0.0012	0.0017
Trypanosoma brucei	cdc2-related kinase 1	0.0201	0.6992	0.6813
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0055	0.1371	0.1371
Echinococcus granulosus	cysteine protease	0.0034	0.0563	0.0563
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.004	0.0771	0.0771
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0279	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0055	0.1371	0.1371
Trypanosoma cruzi	cruzipain precursor, putative	0.0055	0.1371	0.136
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Trichomonas vaginalis	cyclin B3, putative	0.0164	0.5573	0.5568
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Plasmodium vivax	serine-repeat antigen (SERA)	0.002	0.0012	0.0017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Toxoplasma gondii	hypothetical protein	0.0125	0.4046	0.5779
Brugia malayi	cell division control protein 2 homolog	0.0201	0.6992	0.6992
Echinococcus granulosus	cyclins	0.0164	0.5573	0.5573
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Plasmodium falciparum	protein kinase 5	0.0201	0.6992	1
Echinococcus multilocularis	cyclin	0.004	0.0771	0.0771
Toxoplasma gondii	cyclin 4, putative	0.004	0.0771	0.1088
Echinococcus granulosus	cathepsin b	0.014	0.4619	0.4619
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.002	0.0012	0.0012
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Echinococcus multilocularis	cathepsin L cysteine protease	0.0055	0.1371	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0041	0.082	0.082
Plasmodium falciparum	serine repeat antigen 4	0.002	0.0012	0.0017
Plasmodium falciparum	cyclin 1	0.004	0.0771	0.1103
Echinococcus multilocularis	cathepsin L	0.002	0.0012	0.0012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.004	0.0771	0.0771
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0164	0.5573	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0279	1	1
Onchocerca volvulus		0.0055	0.1371	0.1371
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.1371	0.1371
Brugia malayi	cathepsin B-like cysteine proteinase	0.014	0.4619	0.4619
Giardia lamblia	Cyclin A	0.0164	0.5573	0.5568
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0563	0.0563
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Onchocerca volvulus		0.0055	0.1371	0.1371
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.066	0.5
Onchocerca volvulus	Cyclin L homolog	0.004	0.0771	0.0771
Brugia malayi	Protein kinase domain containing protein	0.0201	0.6992	0.6992
Loa Loa (eye worm)	CYL-1 protein	0.004	0.0771	0.0771
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0055	0.1371	0.1371
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.014	0.4619	0.4613
Giardia lamblia	Cathepsin B precursor	0.014	0.4619	0.4613
Echinococcus multilocularis	cyclin y	0.004	0.0771	0.0771
Echinococcus multilocularis	cyclin B3 1	0.0164	0.5573	0.5573
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0012	0.0012
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Plasmodium falciparum	serine repeat antigen 6	0.002	0.0012	0.0017
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Echinococcus multilocularis	cyclin b3	0.0164	0.5573	0.5573
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.066	0.0649
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	0.4619	0.4619
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0563	0.0551
Echinococcus multilocularis	cathepsin b	0.014	0.4619	0.4619
Schistosoma mansoni	g1/s-specific cyclin C	0.004	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0198	0.6855	0.6855
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0012	0.0012
Echinococcus granulosus	cyclins	0.0164	0.5573	0.5573
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.829	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Plasmodium vivax	vivapain-3	0.0034	0.0563	0.0805
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Plasmodium falciparum	serine repeat antigen 8	0.002	0.0012	0.0017
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.002	0.0012	0.0017
Toxoplasma gondii	cyclin domain protein, cyclin H family protein	0.004	0.0771	0.1088
Trichomonas vaginalis	cyclin B, putative	0.0279	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.066	0.066
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.1371	0.136
Giardia lamblia	Cyclin fold protein 1, putative	0.004	0.0771	0.076
Echinococcus multilocularis	cyclin G2	0.004	0.0771	0.0771
Leishmania major	mitotic cyclin, putative	0.004	0.0771	0.0119
Trichomonas vaginalis	cyclin B, putative	0.004	0.0771	0.076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Schistosoma mansoni	cyclin G	0.004	0.0771	0.0771
Mycobacterium leprae	Probable lipase LipE	0.0037	0.066	0.5
Onchocerca volvulus	Protein CNPPD1 homolog	0.004	0.0771	0.0771
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.002	0.0012	0.0017
Echinococcus granulosus	cyclin b3	0.0164	0.5573	0.5573
Trichomonas vaginalis	esterase, putative	0.0037	0.066	0.0649
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0563	0.0563
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Schistosoma mansoni	cathepsin F (C01 family)	0.0041	0.082	0.082
Schistosoma mansoni	lipoxygenase	0.0117	0.3766	0.3766
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0164	0.5573	0.5573
Schistosoma mansoni	cyclin G2	0.004	0.0771	0.0771
Trypanosoma cruzi	cyclin 9, putative	0.004	0.0771	0.076
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0041	0.082	0.082
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0771	0.076
Schistosoma mansoni	cyclin l	0.004	0.0771	0.0771
Echinococcus granulosus	cyclin G2	0.004	0.0771	0.0771
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.002	0.0012	0.0012
Entamoeba histolytica	cyclin, putative	0.0164	0.5573	0.5568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Mycobacterium ulcerans	lipase LipD	0.0037	0.066	0.5
Mycobacterium ulcerans	beta-lactamase	0.0037	0.066	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.066	0.066
Entamoeba histolytica	cyclin, putative	0.0279	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0201	0.6992	1
Onchocerca volvulus		0.002	0.0012	0.0012
Echinococcus granulosus	cathepsin b	0.014	0.4619	0.4619
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Brugia malayi	fibroinase precursor	0.002	0.0012	0.0012
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.002	0.0012	0.0012
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Giardia lamblia	G2/mitotic-specific cyclin B	0.0279	1	1
Brugia malayi	Cathepsin L-like precursor	0.0041	0.082	0.082
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Brugia malayi	Cathepsin L-like precursor	0.0041	0.082	0.082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0563	0.0551
Entamoeba histolytica	cyclin family protein	0.0164	0.5573	0.5568
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Trichomonas vaginalis	cyclin B3, putative	0.004	0.0771	0.076
Plasmodium falciparum	serine repeat antigen 1	0.002	0.0012	0.0017
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0279	1	1
Echinococcus granulosus	cathepsin l1	0.0041	0.082	0.082
Entamoeba histolytica	cysteine protease, putative	0.0055	0.1371	0.136
Trichomonas vaginalis	CMGC family protein kinase	0.0201	0.6992	0.6988
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Onchocerca volvulus		0.004	0.0771	0.0771
Schistosoma mansoni	cyclin k	0.004	0.0771	0.0771
Leishmania major	cyclin 9, putative	0.004	0.0771	0.0119
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.004	0.0771	0.0771
Schistosoma mansoni	cyclin B	0.0279	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0055	0.1371	0.1371
Schistosoma mansoni	cyclin d	0.004	0.0771	0.0771
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.85	0.85
Trypanosoma brucei	cdc2-related kinase 3	0.0201	0.6992	0.6813
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.014	0.4619	0.4619
Echinococcus multilocularis	Cyclin L1	0.004	0.0771	0.0771
Trichomonas vaginalis	cyclins, putative	0.0279	1	1
Echinococcus granulosus	cathepsin L	0.002	0.0012	0.0012
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	0.4619	0.4619
Echinococcus multilocularis	cyclin y	0.004	0.0771	0.0771
Trichomonas vaginalis	CMGC family protein kinase	0.0201	0.6992	0.6988
Onchocerca volvulus		0.0037	0.066	0.066
Echinococcus granulosus	cyclin k	0.004	0.0771	0.0771
Plasmodium falciparum	serine repeat antigen 7	0.002	0.0012	0.0017
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.0563	0.0551
Echinococcus granulosus	cyclin dependent kinase 5	0.0201	0.6992	0.6992
Loa Loa (eye worm)	cyclin C	0.004	0.0771	0.0771
Echinococcus granulosus	cyclins	0.0164	0.5573	0.5573
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.066	0.066
Trichomonas vaginalis	cyclins, putative	0.004	0.0771	0.076
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.066	0.066
Onchocerca volvulus		0.0279	1	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Echinococcus granulosus	cathepsin L	0.0034	0.0563	0.0563
Echinococcus multilocularis	cyclin dependent kinase 1	0.0201	0.6992	0.6992
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0771	0.1103
Trypanosoma brucei	cyclin 3	0.004	0.0771	0.0221
Trichomonas vaginalis	cyclins, putative	0.004	0.0771	0.076
Trichomonas vaginalis	cyclin B, putative	0.004	0.0771	0.076
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0201	0.6992	0.6992
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0279	1	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.066	0.066
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0201	0.6992	0.6992
Echinococcus granulosus	cyclin A3 4	0.004	0.0771	0.0771
Onchocerca volvulus		0.0037	0.066	0.066
Giardia lamblia	Kinase, CMGC CDK	0.0201	0.6992	0.6988
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Trichomonas vaginalis	cyclin A, putative	0.0279	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Brugia malayi	cathepsin F-like cysteine proteinase	0.002	0.0012	0.0012
Toxoplasma gondii	cathepsin CPL	0.0055	0.1371	0.1946
Trypanosoma cruzi	cyclin 6, putative	0.0279	1	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Brugia malayi	cyclin fold protein 1 variant b	0.004	0.0771	0.0771
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.066	0.5
Echinococcus granulosus	cyclin dependent kinase	0.0201	0.6992	0.6992
Schistosoma mansoni	Cyclin fold protein	0.004	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Loa Loa (eye worm)	hypothetical protein	0.004	0.0771	0.0771
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.002	0.0012	0.0012
Trypanosoma cruzi	cysteine protease, putative	0.0034	0.0563	0.0551
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Brugia malayi	cathepsin L-like cysteine proteinase	0.002	0.0012	0.0012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.066	0.0944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.082	0.0809
Echinococcus multilocularis	cysteine protease	0.0055	0.1371	0.1371
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.066	0.0103
Plasmodium falciparum	serine repeat antigen 9	0.002	0.0012	0.0017
Brugia malayi	cathepsin Z-like cysteine proteinase	0.002	0.0012	0.0012
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Onchocerca volvulus	Cyclin L homolog	0.004	0.0771	0.0771
Echinococcus granulosus	cyclin G2	0.004	0.0771	0.0771
Echinococcus multilocularis	cathepsin b	0.014	0.4619	0.4619
Trichomonas vaginalis	cyclins, putative	0.0164	0.5573	0.5568
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0055	0.1371	0.196
Leishmania major	cyclin	0.0279	1	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.002	0.0012	0.0012
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0771	0.076
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0771	0.076
Schistosoma mansoni	cyclin B3	0.0164	0.5573	0.5573
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Trypanosoma cruzi	mitotic cyclin, putative	0.004	0.0771	0.076
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.002	0.0012	0.0017
Trichomonas vaginalis	cyclin B, putative	0.0279	1	1
Echinococcus granulosus	cyclin y	0.004	0.0771	0.0771
Plasmodium vivax	cyclin 4, putative	0.004	0.0771	0.1103
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Onchocerca volvulus		0.0055	0.1371	0.1371
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0055	0.1371	0.1371
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.014	0.4619	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Trichomonas vaginalis	conserved hypothetical protein	0.0164	0.5573	0.5568
Echinococcus multilocularis	cyclins	0.0164	0.5573	0.5573
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Leishmania major	cathepsin L-like protease	0.0055	0.1371	0.0761
Entamoeba histolytica	cyclin, domain containing protein	0.004	0.0771	0.076
Plasmodium vivax	vivapain-2	0.0055	0.1371	0.196
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0041	0.082	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0037	0.066	0.066
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.066	0.0649
Brugia malayi	beta-lactamase family protein	0.0037	0.066	0.066
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Schistosoma mansoni	cathepsin C	0.002	0.0012	0.0012
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0055	0.1371	0.196
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.002	0.0012	0.0017
Echinococcus multilocularis	cyclin dependent kinase	0.0201	0.6992	0.6992
Toxoplasma gondii	cyclin, N-terminal domain-containing protein	0.004	0.0771	0.1088
Giardia lamblia	Hypothetical protein	0.004	0.0771	0.076
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.002	0.0012	0.0017
Entamoeba histolytica	cysteine proteinase, putative	0.0041	0.082	0.0809
Loa Loa (eye worm)	cathepsin B	0.014	0.4619	0.4619
Echinococcus multilocularis	cysteine protease	0.0055	0.1371	0.1371
Plasmodium vivax	vivapain-2	0.0055	0.1371	0.196
Loa Loa (eye worm)	cysteine protease	0.0055	0.1371	0.1371
Echinococcus granulosus	cyclin y	0.004	0.0771	0.0771
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0563	0.0563
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0164	0.5573	0.5573
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.0563	0.0551
Loa Loa (eye worm)	hypothetical protein	0.014	0.4619	0.4619
Giardia lamblia	Cyclin B-like protein	0.004	0.0771	0.076
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.002	0.0012	0.0017
Echinococcus multilocularis	G1:S specific cyclin D1	0.004	0.0771	0.0771
Brugia malayi	Cyclin, N-terminal domain containing protein	0.004	0.0771	0.0771
Echinococcus granulosus	cyclin t1	0.004	0.0771	0.0771
Onchocerca volvulus	Cathepsin F homolog	0.0055	0.1371	0.1371
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0055	0.1371	0.1371
Toxoplasma gondii	cathepsin B	0.014	0.4619	0.66
Onchocerca volvulus		0.0055	0.1371	0.1371
Plasmodium falciparum	serine repeat antigen 5	0.002	0.0012	0.0017
Leishmania major	mitotic cyclin, putative	0.004	0.0771	0.0119
Schistosoma mansoni	hypothetical protein	0.004	0.0771	0.0771
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0012	0.0012
Entamoeba histolytica	cysteine proteinase 2	0.0034	0.0563	0.0551
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0012	0.0012
Plasmodium falciparum	cyclin	0.0164	0.5573	0.7971
Plasmodium vivax	unspecified product	0.0034	0.0563	0.0805
Echinococcus multilocularis	cathepsin L	0.0034	0.0563	0.0563
Trichomonas vaginalis	cyclin A, putative	0.004	0.0771	0.076
Trypanosoma brucei	cysteine peptidase C (CPC)	0.014	0.4619	0.4298
Plasmodium falciparum	serine repeat antigen 3	0.002	0.0012	0.0017
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0563	0.0551
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.002	0.0012	0.0017
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.0563	0.0563
Trypanosoma cruzi	cdc2-related kinase 3	0.0201	0.6992	0.6988
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.066	0.0649
Giardia lamblia	Hypothetical protein	0.004	0.0771	0.076
Loa Loa (eye worm)	cyclin domain-containing protein	0.0164	0.5573	0.5573
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0563	0.0551
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.002	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Trichomonas vaginalis	cyclin D, putative	0.004	0.0771	0.076
Trichomonas vaginalis	cyclin B, putative	0.0164	0.5573	0.5568
Brugia malayi	hypothetical protein	0.004	0.0771	0.0771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Trypanosoma cruzi	cdc2-related kinase 1	0.0201	0.6992	0.6988
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.002	0.0012	0.0012
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.1371	0.136
Loa Loa (eye worm)	hypothetical protein	0.004	0.0771	0.0771
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.1371	0.0856
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.85	0.85
Trypanosoma brucei	cyclin dependent kinase-binding protein, putative	0.004	0.0771	0.0221
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.066	0.0649
Entamoeba histolytica	hypothetical protein	0.004	0.0771	0.076
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.002	0.0012	0.0017
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0201	0.6992	0.6779
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0117	0.3766	0.3766
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Mycobacterium ulcerans	hypothetical protein	0.0037	0.066	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.1371	0.136
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.066	0.066
Brugia malayi	beta-lactamase	0.0037	0.066	0.066
Brugia malayi	Cyclin C	0.004	0.0771	0.0771
Trichomonas vaginalis	cyclins, putative	0.0279	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	0.4619	0.4619
Leishmania major	cysteine peptidase A (CPA)	0.0055	0.1371	0.0761
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1371	0.1371
Entamoeba histolytica	cyclin family protein	0.0164	0.5573	0.5568
Trypanosoma cruzi	mitotic cyclin, putative	0.004	0.0771	0.076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Trichomonas vaginalis	cyclin D, putative	0.0164	0.5573	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0041	0.082	0.082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1371	0.136
Trichomonas vaginalis	cyclin B, putative	0.0279	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0055	0.1371	0.1371
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0279	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.1371	0.136
Loa Loa (eye worm)	ctsf protein	0.0055	0.1371	0.1371
Onchocerca volvulus		0.0041	0.082	0.082
Entamoeba histolytica	cyclin C, putative	0.004	0.0771	0.076
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0117	0.3766	0.3766
Giardia lamblia	Cathepsin B precursor	0.014	0.4619	0.4613
Trypanosoma cruzi	cdc2-related kinase 1	0.0201	0.6992	0.6988
Trichomonas vaginalis	cyclin B3, putative	0.004	0.0771	0.076
Toxoplasma gondii	hypothetical protein	0.004	0.0771	0.1088
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.066	0.0649
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.066	0.066
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.002	0.0012	0.0012
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0012	0.0012
Giardia lamblia	Hypothetical protein	0.0164	0.5573	0.5568
Echinococcus granulosus	cyclin B	0.0279	1	1
Trichomonas vaginalis	cyclins, putative	0.0155	0.5198	0.5192
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Entamoeba histolytica	cell division protein kinase 2, putative	0.0201	0.6992	0.6988
Loa Loa (eye worm)	cyclin domain-containing protein	0.004	0.0771	0.0771
Brugia malayi	cathepsin Z-like cysteine proteinase	0.002	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1371	0.1371
Schistosoma mansoni	serine/threonine protein kinase	0.0201	0.6992	0.6992
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0563	0.0551
Plasmodium falciparum	cyclin dependent kinase binding protein, putative	0.004	0.0771	0.1103
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0055	0.1371	0.136
Echinococcus multilocularis	cyclin dependent kinase 5	0.0201	0.6992	0.6992
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0034	0.0563	0.0551
Trichomonas vaginalis	cyclin D, putative	0.0164	0.5573	0.5568
Onchocerca volvulus		0.0055	0.1371	0.1371
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.002	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0041	0.082	0.082
Schistosoma mansoni	hypothetical protein	0.004	0.0771	0.0771
Schistosoma mansoni	cathepsin S (C01 family)	0.002	0.0012	0.0012
Schistosoma mansoni	cyclins	0.0164	0.5573	0.5573
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.002	0.0012	0.0012
Trichomonas vaginalis	cyclin B, putative	0.0279	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.002	0.0012	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0771	0.076
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0055	0.1371	0.196
Trichomonas vaginalis	cyclins, putative	0.0279	1	1
Giardia lamblia	Kinase, CMGC CDK	0.0201	0.6992	0.6988
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	0.4619	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0115	0.3671	0.3671
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.004	0.0771	0.0771

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.53 uM	Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)	ChEMBL.	15890515
IC50 (binding)	= 1.53 uM	Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)	ChEMBL.	15890515

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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External resources for this compound

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 330106