TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.374 | Formula: C20H20F3NO2
H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1CN(C1)Cc1ccc(cc1)CCc1cccc(c1)C(F)(F)F
InChi: 1S/C20H20F3NO2/c21-20(22,23)18-3-1-2-15(10-18)7-4-14-5-8-16(9-6-14)11-24-12-17(13-24)19(25)26/h1-3,5-6,8-10,17H,4,7,11-13H2,(H,25,26)
InChiKey: VETBKPDTHQZBKH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sphingosine-1-phosphate receptor 5	Starlite/ChEMBL	References
Homo sapiens	sphingosine-1-phosphate receptor 1	Starlite/ChEMBL	References
Homo sapiens	G protein-coupled receptor kinase 5	Starlite/ChEMBL	No references
Homo sapiens	cyclin-dependent kinase 8	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K02208 cyclin-dependent kinase 8/11, putative	Get druggable targets OG5_129229	All targets in OG5_129229
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Loa Loa (eye worm)	gastrulation defective protein 1	Get druggable targets OG5_129229	All targets in OG5_129229
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129229	All targets in OG5_129229
Echinococcus granulosus	cyclin dependent kinase 19	Get druggable targets OG5_129229	All targets in OG5_129229
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129229	All targets in OG5_129229
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma japonicum	ko:K08291 G protein-coupled receptor kinase [EC2.7.11.16], putative	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma japonicum	G protein-coupled receptor kinase 1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	Get druggable targets OG5_130334	All targets in OG5_130334
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Candida albicans	Cyclin-dependent serine/threonin protein kinase	Get druggable targets OG5_129229	All targets in OG5_129229
Echinococcus multilocularis	cyclin dependent kinase 19	Get druggable targets OG5_129229	All targets in OG5_129229
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	Get druggable targets OG5_129229	All targets in OG5_129229
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Echinococcus multilocularis	G protein coupled receptor kinase 6	Get druggable targets OG5_130334	All targets in OG5_130334
Candida albicans	Cyclin-dependent serine/threonin protein kinase	Get druggable targets OG5_129229	All targets in OG5_129229

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	plasmepsin III	0.0017	0.0192	0.4092
Brugia malayi	hypothetical protein	0.0277	0.6463	1
Onchocerca volvulus		0.0017	0.0192	0.0588
Brugia malayi	Protein kinase domain containing protein	0.0158	0.3606	0.5579
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0017	0.0181	0.4227
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0176	0.0176
Loa Loa (eye worm)	gastrulation defective protein 1	0.0157	0.3583	0.5544
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0017	0.0192	0.0297
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0034	0.0034
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0015	0.0154	0.0154
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0181	0.028
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0017	0.0181	0.4227
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0429	0.0663
Entamoeba histolytica	hypothetical protein	0.0015	0.0154	0.3285
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0009	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0017	0.0181	1
Loa Loa (eye worm)	CYP4Cod1	0.0027	0.0429	0.0663
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0655	0.1013
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.014	0.3157	0.4884
Echinococcus granulosus	regulator of G protein signaling 7	0.0015	0.0154	0.0238
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0017	0.0181	0.387
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0016	0.0176	0.0273
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0015	0.0154	0.0238
Echinococcus multilocularis	cyclin dependent kinase 19	0.0158	0.3606	0.5579
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.0429	0.9157
Brugia malayi	aspartic protease BmAsp-1, identical	0.0017	0.0192	0.0297
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0192	0.0297
Echinococcus multilocularis		0.0017	0.0181	0.028
Onchocerca volvulus		0.0056	0.1144	0.3511
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0015	0.0154	0.0238
Echinococcus granulosus	cyclin dependent kinase 19	0.0158	0.3606	0.5579
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0017	0.0192	0.3207
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0017	0.0181	1
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0028	0.0468	1
Brugia malayi	regulator of G-protein signaling rgs-7	0.0015	0.0154	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3259	0.5042
Echinococcus multilocularis	regulator of G protein signaling 7	0.0015	0.0154	0.0238
Echinococcus granulosus	expressed protein	0.0015	0.0154	0.0238
Plasmodium falciparum	plasmepsin VII	0.0017	0.0192	0.4092
Schistosoma mansoni	regulator of G protein signaling	0.0015	0.0154	0.0154
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0028	0.0468	1
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0017	0.0181	0.4227
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0017	0.0181	0.4227
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0017	0.0181	1
Entamoeba histolytica	hypothetical protein	0.0015	0.0154	0.3285
Brugia malayi	regulator of G-protein signaling egl-10	0.0015	0.0154	0.0238
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0429	0.0663
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0181	0.028
Brugia malayi	PXA domain containing protein	0.0015	0.0154	0.0238
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0028	0.0468	0.0725
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0017	0.0181	0.4227
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0034	0.0053
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0028	0.0468	1
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0017	0.0181	1
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0016	0.0176	0.0273
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0034	0.0034
Echinococcus granulosus	axis inhibition protein axin	0.0015	0.0154	0.0238
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0181	0.028
Loa Loa (eye worm)	RGS-3 protein	0.0015	0.0154	0.0238
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0016	0.0176	0.0273
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0017	0.0181	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0192	0.0297
Leishmania major	cytochrome p450-like protein	0.0017	0.0181	0.387
Brugia malayi	Pepsin A precursor	0.0017	0.0192	0.0297
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0017	0.0181	0.387
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0017	0.0181	0.4227
Brugia malayi	hypothetical protein	0.0017	0.0192	0.0297
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0155	0.353	0.5461
Brugia malayi	cytochrome P450	0.0017	0.0181	0.028
Plasmodium vivax	aspartyl protease, putative	0.0017	0.0192	0.4092
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0181	1
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0176	0.0176
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0017	0.0181	0.4227
Plasmodium falciparum	plasmepsin I	0.0017	0.0192	0.4092
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0028	0.0468	0.0725
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.014	0.3157	0.4884
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0017	0.0181	0.4227
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0015	0.0154	0.0154
Brugia malayi	PXA domain containing protein	0.0015	0.0154	0.0238
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0017	0.0181	0.4227
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0155	0.353	0.5461
Brugia malayi	hypothetical protein	0.0015	0.0154	0.0238
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	0.0158	0.3606	0.5579
Plasmodium falciparum	plasmepsin X	0.0017	0.0192	0.4092
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0655	0.1013
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0598	1
Echinococcus granulosus	Regulator of G protein signaling 20	0.0015	0.0154	0.0238
Plasmodium falciparum	plasmepsin VIII, putative	0.0017	0.0192	0.4092
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0429	0.0663
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0015	0.0154	0.0154
Schistosoma mansoni	cytochrome P450	0.0017	0.0181	0.0181
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0017	0.0181	0.4227
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0017	0.0181	1
Trypanosoma brucei	cytochrome P450, putative	0.0027	0.0429	0.9157
Entamoeba histolytica	hypothetical protein	0.0015	0.0154	0.3285
Plasmodium falciparum	plasmepsin IV	0.0017	0.0192	0.4092
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0028	0.0468	1
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0468	0.0468
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0468	0.0468
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0017	0.0181	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0017	0.0181	1
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.353	0.353
Plasmodium falciparum	plasmepsin IX	0.0017	0.0192	0.4092
Loa Loa (eye worm)	hypothetical protein	0.001	0.0034	0.0053
Brugia malayi	Cytochrome P450 family protein	0.0061	0.126	0.1949
Toxoplasma gondii	aspartyl protease ASP1	0.0017	0.0192	0.4092
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0181	0.387
Schistosoma mansoni	regulator of G protein signaling	0.0015	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3259	0.5042
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.014	0.3157	0.4884
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.0429	0.9157
Plasmodium vivax	aspartyl proteinase, putative	0.0017	0.0192	0.4092
Plasmodium falciparum	plasmepsin V	0.0017	0.0192	0.4092
Schistosoma mansoni	serine/threonine protein kinase	0.0158	0.3606	0.3606
Echinococcus multilocularis	survival motor neuron protein 1	0.0277	0.6463	1
Onchocerca volvulus		0.0017	0.0192	0.0588
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0017	0.0181	1
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0034	0.0053
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.014	0.3157	0.4884
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0017	0.0181	0.387
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0031	0.054	0.0835
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0017	0.0192	0.0297
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0028	0.0468	0.7837
Plasmodium vivax	aspartyl protease, putative	0.0017	0.0192	0.4092
Plasmodium falciparum	plasmepsin VI	0.0017	0.0192	0.4092
Schistosoma mansoni	hypothetical protein	0.0056	0.1144	0.1144
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0192	0.0297
Schistosoma mansoni	regulator of G protein signaling	0.0015	0.0154	0.0154
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0154	0.2574
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0017	0.0192	0.0297
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0017	0.0192	0.4092
Echinococcus multilocularis	axis inhibition protein axin	0.0015	0.0154	0.0238
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0034	0.0053
Onchocerca volvulus	Huntingtin homolog	0.0144	0.3259	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.126	0.1949
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0015	0.0154	0.0238
Echinococcus granulosus	survival motor neuron protein 1	0.0277	0.6463	1
Echinococcus granulosus	regulator of G protein signaling 3	0.0015	0.0154	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0017	0.0181	0.4227
Echinococcus multilocularis	regulator of G protein signaling 3	0.0015	0.0154	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0277	0.6463	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0017	0.0181	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0017	0.0181	0.4227
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0017	0.0181	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0017	0.0181	0.387
Brugia malayi	T-complex protein 1, beta subunit	0.0028	0.0468	0.0725
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0017	0.0181	0.4227
Echinococcus multilocularis	axis inhibition protein axin	0.0015	0.0154	0.0238
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0598	1
Plasmodium vivax	aspartyl protease, putative	0.0017	0.0192	0.4092
Schistosoma mansoni	survival motor neuron protein	0.0056	0.1144	0.1144
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0017	0.0181	0.4227
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0017	0.0181	1
Schistosoma mansoni	axis inhibition protein axin	0.0015	0.0154	0.0154
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0027	0.0429	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0015	0.0154	0.0238
Plasmodium vivax	aspartyl proteinase, putative	0.0017	0.0192	0.4092
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0017	0.0192	0.0297
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0468	0.0468
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.014	0.3157	0.4884
Toxoplasma gondii	aspartyl protease	0.0017	0.0192	0.4092
Plasmodium vivax	plasmepsin V, putative	0.0017	0.0192	0.4092
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0017	0.0181	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0017	0.0181	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0181	0.387
Echinococcus multilocularis	regulator of G protein signaling	0.0015	0.0154	0.0238
Schistosoma mansoni	cathepsin D (A01 family)	0.0017	0.0192	0.0192
Brugia malayi	hypothetical protein	0.0017	0.0192	0.0297
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0017	0.0181	0.4227
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0017	0.0181	1
Trichomonas vaginalis	chaperonin, putative	0.0028	0.0468	0.7837
Echinococcus granulosus	regulator of G protein signaling 7	0.0015	0.0154	0.0238
Schistosoma mansoni	axis inhibition protein axin	0.0015	0.0154	0.0154
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0429	0.0663
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0017	0.0181	1
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0017	0.0181	0.4227
Plasmodium vivax	plasmepsin IV, putative	0.0017	0.0192	0.4092
Brugia malayi	A-kinase anchor protein 10, precursor	0.0015	0.0154	0.0238
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0017	0.0181	0.4227
Brugia malayi	T-complex protein 1, beta subunit	0.0028	0.0468	0.0725
Schistosoma mansoni	z-protein (S1r protein)	0.0015	0.0154	0.0154
Toxoplasma gondii	t-complex protein beta subunit	0.0028	0.0468	1
Leishmania major	T-complex protein 1, beta subunit, putative	0.0028	0.0468	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.1144	0.177
Toxoplasma gondii	aspartyl protease ASP3	0.0017	0.0192	0.4092
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0017	0.0181	1
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0015	0.0154	0.2574
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0735	0.0735
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0015	0.0154	0.0238
Schistosoma mansoni	regulator of G protein signaling	0.0015	0.0154	0.0154
Brugia malayi	aspartic protease BmAsp-2, identical	0.0017	0.0192	0.0297
Loa Loa (eye worm)	aspartyl protease 6	0.0017	0.0192	0.0297
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0034	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0017	0.0181	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0029	0.0045
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0655	0.1013
Echinococcus granulosus	axis inhibition protein axin	0.0015	0.0154	0.0238
Leishmania major	cytochrome p450-like protein	0.0017	0.0181	0.387
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0034	0.0053
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0017	0.0181	0.4227
Schistosoma mansoni	hypothetical protein	0.0017	0.0181	0.0181
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0735	0.0735
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0017	0.0192	0.0297
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0028	0.0468	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0017	0.0181	0.4227
Brugia malayi	hypothetical protein	0.0144	0.3259	0.5042
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0655	0.1013
Echinococcus multilocularis	regulator of G protein signaling 7	0.0015	0.0154	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0017	0.0192	0.4092
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0017	0.0181	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0015	0.0154	0.0238
Echinococcus granulosus	regulator of G protein signaling 3	0.0015	0.0154	0.0238
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0017	0.0181	0.4227
Loa Loa (eye worm)	T-complex protein 1	0.0028	0.0468	0.0725
Leishmania major	cytochrome p450-like protein	0.0027	0.0429	0.9157
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0154	0.0238
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0181	1
Echinococcus multilocularis	expressed protein	0.0015	0.0154	0.0238
Onchocerca volvulus	Huntingtin homolog	0.0144	0.3259	1
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0028	0.0468	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0015	0.0154	0.0238
Loa Loa (eye worm)	PXA domain-containing protein	0.0015	0.0154	0.0238
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0017	0.0181	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0017	0.0192	0.0192
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0192	0.0192
Schistosoma mansoni	regulator of G protein signaling	0.0015	0.0154	0.0154
Brugia malayi	hypothetical protein	0.0015	0.0154	0.0238
Plasmodium falciparum	plasmepsin II	0.0017	0.0192	0.4092

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.001 uM	Displacement of [33P]S1P from S1P5 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method	ChEMBL.	26509640
IC50 (binding)	= 0.221 uM	Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method	ChEMBL.	26509640
INH (ADMET)	> 20 uM	Inhibition of CYP1A2 (unknown origin)	ChEMBL.	26509640
INH (ADMET)	> 20 uM	Inhibition of CYP2C9 (unknown origin)	ChEMBL.	26509640
INH (ADMET)	> 20 uM	Inhibition of CYP2D6 (unknown origin)	ChEMBL.	26509640
INH (ADMET)	> 20 uM	Inhibition of CYP3A4 (unknown origin)	ChEMBL.	26509640
Ki (functional)	= 5.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8	ChEMBL.	No reference
Ki (functional)	= 6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5	ChEMBL.	No reference
T1/2 (ADMET)	= 4.9 hr	Half-life in Balb/C mouse at 10 mg/kg, po	ChEMBL.	26509640

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: CHEMBL1973936

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1642184