TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.294 | Formula: C19H19Cl2N5
H donors: 0 H acceptors: 3 LogP: 5.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)/C=N\C(c1nnnn1c1c(C)cccc1C)(C)C
InChi: 1S/C19H19Cl2N5/c1-12-6-5-7-13(2)17(12)26-18(23-24-25-26)19(3,4)22-11-14-8-9-15(20)10-16(14)21/h5-11H,1-4H3/b22-11-
InChiKey: MIPAVLQBYUJVHJ-JJFYIABZSA-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	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
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
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	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
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
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 infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	cytochrome P450 556	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

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 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0038	0.0549
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0145	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Plasmodium falciparum	proline--tRNA ligase	0.0083	0.0701	0.0701
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0053	0.0399	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0071	0.0582	0.2583
Plasmodium vivax	hexose transporter	0.0236	0.2253	0.2253
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Mycobacterium ulcerans	integral membrane transport protein	0.0033	0.0201	0.3318
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0017	0.0038	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0607	0.2693
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0017	0.0038	0.0634
Trypanosoma cruzi	hexose transporter, putative	0.0073	0.0606	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0073	0.0606	0.269
Plasmodium falciparum	protein kinase 7	0.0667	0.6612	0.6612
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Trypanosoma cruzi	sugar transporter, putative	0.0033	0.0201	0.2874
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0017	0.0038	0.0634
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0606	0.269
Onchocerca volvulus		0.0033	0.0201	0.5
Trichomonas vaginalis	myo-inositol transporter, putative	0.0033	0.0201	0.0894
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0017	0.0038	0.0634
Trichomonas vaginalis	conserved hypothetical protein	0.0236	0.2253	1
Schistosoma mansoni	hypothetical protein	0.0236	0.2253	1
Trypanosoma cruzi	hexose transporter, putative	0.0073	0.0606	0.8651
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0607	0.8662
Echinococcus multilocularis		0.0017	0.0038	0.0171
Onchocerca volvulus		0.0033	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0072	0.0597	0.2648
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0017	0.0038	0.0634
Echinococcus granulosus	calcium dependent protein kinase	0.0068	0.0552	0.2448
Brugia malayi	major facilitator superfamily protein	0.0033	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0033	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0033	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0236	0.2253	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0072	0.0597	0.0597
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0607	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0017	0.0038	0.0634
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0072	0.0597	0.0597
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0053	0.0399	0.1769
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Leishmania major	glucose transporter, lmgt3	0.0073	0.0606	0.8651
Toxoplasma gondii	sugar transporter ST1	0.0033	0.0201	0.0305
Onchocerca volvulus		0.0033	0.0201	0.5
Giardia lamblia	Lysyl-tRNA synthetase	0.0053	0.0399	0.6849
Brugia malayi	Cytochrome P450 family protein	0.0063	0.0504	0.2238
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0071	0.0582	0.2583
Brugia malayi	hypothetical protein	0.0033	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0017	0.0038	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0145	0.2076
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0017	0.0038	0.0058
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0236	0.2253	1
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0017	0.0038	0.0634
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Leishmania major	cytochrome p450-like protein	0.0017	0.0038	0.0549
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0071	0.0582	0.2583
Trypanosoma brucei	glucose transporter 2A	0.0073	0.0606	0.8651
Leishmania major	myo-inositol/proton symporter (MIT)	0.0033	0.0201	0.2874
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0038	0.0171
Brugia malayi	Cam kinase protein 1	0.0072	0.0597	0.2648
Trichomonas vaginalis	glucose transporter, putative	0.0073	0.0606	0.269
Toxoplasma gondii	facilitative glucose transporter GT1	0.0236	0.2253	0.3408
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0033	0.0201	0.0305
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0145	0.0645
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0083	0.0701	1
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0072	0.0597	0.0903
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0072	0.0597	0.2648
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0071	0.0582	0.2583
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0017	0.0038	0.0634
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0072	0.0597	0.0597
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0071	0.0582	0.2583
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0072	0.0597	0.0597
Schistosoma mansoni	glucose transport protein	0.0236	0.2253	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0017	0.0038	0.0549
Leishmania major	glucose transporter, lmgt1	0.0073	0.0606	0.8651
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0017	0.0038	0.0634
Leishmania major	protein kinase, putative	0.0072	0.0597	0.8517
Trichomonas vaginalis	CAMK family protein kinase	0.0072	0.0597	0.2648
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0017	0.0038	0.0634
Plasmodium vivax	proline--tRNA ligase, putative	0.0083	0.0701	0.0701
Echinococcus multilocularis	solute carrier family 22	0.0033	0.0201	0.0894
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.0145	0.2076
Onchocerca volvulus		0.0033	0.0201	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0046	0.0333	0.1477
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0071	0.0582	0.9752
Trichomonas vaginalis	sugar transporter, putative	0.0073	0.0606	0.269
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0033	0.0201	0.2874
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0073	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Onchocerca volvulus		0.0033	0.0201	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0607	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0068	0.0552	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0017	0.0038	0.0634
Leishmania major	cytochrome p450-like protein	0.0028	0.0145	0.2076
Echinococcus granulosus	solute carrier family 22	0.0033	0.0201	0.0894
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0607	0.0918
Schistosoma mansoni	sugar transporter	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0053	0.0399	0.6568
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0017	0.0038	0.0634
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0017	0.0038	0.0634
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0017	0.0038	0.0634
Schistosoma mansoni	lysyl-tRNA synthetase	0.0053	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	glucose transporter	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0053	0.0399	0.1769
Trypanosoma cruzi	glucose transporter, putative	0.0033	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0607	0.2693
Brugia malayi	Major Facilitator Superfamily protein	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0607	1
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0025	0.0119	0.1956
Echinococcus multilocularis	solute carrier family 22	0.0033	0.0201	0.0894
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0038	0.0661
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.0606	0.269
Trypanosoma cruzi	hexose transporter, putative	0.0073	0.0606	0.8651
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0017	0.0038	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0582	0.2583
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Onchocerca volvulus	Putative transporter	0.0033	0.0201	0.5
Mycobacterium ulcerans	sugar transporter	0.0033	0.0201	0.3318
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0033	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0072	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Toxoplasma gondii	lysine-tRNA ligase	0.0053	0.0399	0.0603
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transport protein, putative	0.0033	0.0201	0.0894
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0017	0.0038	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0071	0.0582	0.2583
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0017	0.0038	0.0634
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0071	0.0582	0.2583
Leishmania major	lysyl-tRNA synthetase, putative	0.0053	0.0399	0.5689
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0017	0.0038	0.0634
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0017	0.0038	0.0634
Brugia malayi	lysyl-tRNA synthetase	0.0053	0.0399	0.1769
Schistosoma mansoni	sugar transporter	0.0033	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Leishmania major	cytochrome p450-like protein	0.0017	0.0038	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0448	0.1987
Plasmodium vivax	lysine--tRNA ligase, putative	0.0053	0.0399	0.0399
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0033	0.0201	0.0894
Plasmodium vivax	sugar transporter, putative	0.0033	0.0201	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Entamoeba histolytica	protein kinase, putative	0.0072	0.0597	1
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0017	0.0038	0.0549
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0017	0.0038	0.0634
Leishmania major	glucose transporter, lmgt2	0.0073	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0607	0.2693
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0597	0.2648
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Leishmania major	hypothetical protein, conserved	0.0033	0.0201	0.2874
Brugia malayi	hypothetical protein	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0017	0.0038	0.0634
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0017	0.0038	0.0634
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Onchocerca volvulus		0.0033	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0399	0.1769
Chlamydia trachomatis	lysine--tRNA ligase	0.0053	0.0399	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0033	0.0201	0.3318
Schistosoma mansoni	cytochrome P450	0.0017	0.0038	0.0171
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0033	0.0201	0.3318
Schistosoma mansoni	glucose transport protein	0.0236	0.2253	1
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0045	0.0318	0.5469
Brugia malayi	major facilitator superfamily protein	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0017	0.0038	0.0634
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0017	0.0038	0.0634
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0607	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0083	0.0701	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0382	0.3724	0.3724
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Onchocerca volvulus		0.0033	0.0201	0.5
Echinococcus granulosus	General substrate transporter	0.0203	0.1918	0.851
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0038	0.0171
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma brucei	glucose transporter 1E	0.0073	0.0606	0.8651
Onchocerca volvulus		0.0033	0.0201	0.5
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0045	0.0318	0.5244
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0201	0.0894
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0038	0.0171
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0072	0.0597	0.0597
Toxoplasma gondii	protein kinase, putative	0.0667	0.6612	1
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0017	0.0038	0.0634
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0017	0.0038	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0033	0.0201	0.0894
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0017	0.0038	0.0634
Schistosoma mansoni	protein kinase	0.0072	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Plasmodium falciparum	lysine--tRNA ligase	0.0053	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0072	0.0597	0.2648
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0382	0.3724	0.5632
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0017	0.0038	0.0634
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0033	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0072	0.0597	0.0597
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0073	0.0606	0.269
Plasmodium falciparum	hexose transporter	0.0236	0.2253	0.2253
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0145	0.2076
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0038	0.0549
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0017	0.0038	0.0634
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0029	0.016	0.0709
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0145	0.0645
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0072	0.0597	0.2648
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0033	0.0201	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.0504	0.2238
Entamoeba histolytica	hypothetical protein	0.0053	0.0399	0.6679
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0017	0.0038	0.0634
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0073	0.0606	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0073	0.0606	0.8651
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0607	0.2693
Echinococcus multilocularis	lysyl tRNA synthetase	0.0053	0.0399	0.1769
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0017	0.0038	0.0634
Echinococcus multilocularis	solute carrier family 22	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0033	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0072	0.0597	0.0597
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.0145	0.2396
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0083	0.0701	1
Schistosoma mansoni	sugar transporter	0.0033	0.0201	0.0894
Plasmodium vivax	CDK-related protein kinase 6, putative	0.1002	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Giardia lamblia	Sugar-proton symporter	0.0033	0.0201	0.346
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0083	0.0701	0.106
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0033	0.0201	0.3318
Brugia malayi	Major Facilitator Superfamily protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0236	0.2253	1
Echinococcus granulosus	solute carrier family 22	0.0033	0.0201	0.0894
Treponema pallidum	prolyl-tRNA synthetase	0.0025	0.0119	1
Echinococcus multilocularis	General substrate transporter	0.0203	0.1918	0.851
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0073	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST3	0.0033	0.0201	0.0305
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0033	0.0201	0.3318
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0201	0.2874
Brugia malayi	Sugar transporter family protein	0.0033	0.0201	0.0894
Schistosoma mansoni	glucose transport protein	0.0236	0.2253	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0017	0.0038	0.0634
Entamoeba histolytica	protein kinase, putative	0.0072	0.0597	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0053	0.0399	0.1769
Loa Loa (eye worm)	sugar transporter	0.0033	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0017	0.0038	0.0634
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0017	0.0038	0.0634
Giardia lamblia	Hexose transporter	0.0033	0.0201	0.346
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0045	0.0318	0.5244
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0201	0.0894
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0382	0.3724	0.3724
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Echinococcus granulosus	solute carrier family 22	0.0033	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0145	0.0645
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0072	0.0597	0.0597
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0072	0.0597	0.0903
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0017	0.0038	0.0634
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0038	0.0661
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0033	0.0201	0.0894
Brugia malayi	cytochrome P450	0.0017	0.0038	0.0171
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0236	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0894
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0017	0.0038	0.0549
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0072	0.0597	0.2648
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0033	0.0201	0.0894
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0017	0.0038	0.0634
Trypanosoma brucei	sugar transporter, putative	0.0033	0.0201	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0597	0.2648
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0072	0.0597	0.2648
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0071	0.0582	1
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0072	0.0597	0.8517
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0145	0.0645
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0083	0.0701	1
Brugia malayi	hypothetical protein	0.0033	0.0201	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0033	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Onchocerca volvulus		0.0033	0.0201	0.5
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0072	0.0597	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0053	0.0399	0.6849
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0083	0.0701	1
Chlamydia trachomatis	proline--tRNA ligase	0.0025	0.0119	0.2978
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma cruzi	hexose transporter	0.0073	0.0606	0.8651
Onchocerca volvulus		0.0033	0.0201	0.5
Trypanosoma cruzi	hexose transporter, putative	0.004	0.027	0.386
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0017	0.0038	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0073	0.0606	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0201	0.0894
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0053	0.0399	0.5689
Toxoplasma gondii	sugar transporter ST2	0.0033	0.0201	0.0305
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0017	0.0038	0.0634
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0033	0.0201	0.0201
Giardia lamblia	Prolyl-tRNA synthetase	0.0071	0.0582	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0038	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0582	0.2583
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0072	0.0597	0.2648
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0017	0.0038	0.0634
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Onchocerca volvulus		0.0033	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0073	0.0606	0.8651
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0053	0.0399	0.6568

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 1.122018454 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 3.548133892 uM	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)	= 5.011872336 uM	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)	= 11.22018454 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
AC50 (functional)	= 39.81071706 uM	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
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL3194051

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1860009