TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 274.788 | Formula: C16H19ClN2
H donors: 0 H acceptors: 1 LogP: 4.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)/C=C(/n1cncc1)\CC(C)(C)C
InChi: 1S/C16H19ClN2/c1-16(2,3)11-15(19-9-8-18-12-19)10-13-4-6-14(17)7-5-13/h4-10,12H,11H2,1-3H3/b15-10+
InChiKey: UDABWPDKDHOMLG-XNTDXEJSSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0217	0.1227	0.1247
Echinococcus multilocularis	expressed protein	0.0042	0.0057	0.0161
Echinococcus multilocularis	snurportin 1	0.0358	0.2167	0.6144
Mycobacterium leprae	conserved hypothetical protein	0.024	0.1376	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0064	0.0038
Brugia malayi	Intermediate filament tail domain containing protein	0.0091	0.0385	0.0477
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0358	0.2167	0.2685
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0187	0.0232
Onchocerca volvulus		0.024	0.1376	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.0093	0.0676
Onchocerca volvulus		0.0091	0.0385	0.2787
Toxoplasma gondii	transporter, major facilitator family protein	0.0062	0.0187	0.136
Echinococcus granulosus	intermediate filament protein	0.0091	0.0385	0.1091
Echinococcus multilocularis	survival motor neuron protein 1	0.0246	0.1414	0.4011
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0187	0.1349
Toxoplasma gondii	protease inhibitor PI2	0.0042	0.0057	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0385	0.0477
Brugia malayi	hypothetical protein	0.0246	0.1414	0.1752
Brugia malayi	glutaminase DH11.1	0.1243	0.8071	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Brugia malayi	intermediate filament protein	0.0091	0.0385	0.0477
Trichomonas vaginalis	esterase, putative	0.024	0.1376	0.167
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0086	0.0065
Loa Loa (eye worm)	heterochromatin protein 1	0.0077	0.029	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Schistosoma mansoni	organic anion transporter	0.0062	0.0187	0.0232
Brugia malayi	beta-lactamase	0.024	0.1376	0.1705
Echinococcus granulosus	survival motor neuron protein 1	0.0246	0.1414	0.4011
Echinococcus granulosus	lamin dm0	0.0091	0.0385	0.1091
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0057	0.007
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0064	0.0079
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.024	0.1376	0.1153
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0062	0.0187	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.007
Loa Loa (eye worm)	hypothetical protein	0.0044	0.007	0.0087
Loa Loa (eye worm)	TAR-binding protein	0.0136	0.0686	0.085
Mycobacterium ulcerans	hypothetical protein	0.024	0.1376	0.1438
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0162	0.0854	0.2422
Echinococcus multilocularis	tar DNA binding protein	0.0136	0.0686	0.1946
Onchocerca volvulus		0.0062	0.0187	0.1349
Echinococcus granulosus	tar DNA binding protein	0.0136	0.0686	0.1946
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Echinococcus multilocularis	beta LACTamase domain containing family member	0.024	0.1376	0.3903
Schistosoma mansoni	chromobox protein	0.0077	0.029	0.0359
Trypanosoma cruzi	MFS transporter, putative	0.0062	0.0187	0.1142
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0686	0.085
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0187	0.1349
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0091	0.0385	0.0477
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0187	0.0232
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0034	0.0042
Echinococcus multilocularis	chromobox protein 1	0.0077	0.029	0.0821
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0062	0.0187	0.0531
Echinococcus granulosus	agrin	0.0042	0.0057	0.0161
Trichomonas vaginalis	D-aminoacylase, putative	0.024	0.1376	0.167
Echinococcus multilocularis	lamin dm0	0.0091	0.0385	0.1091
Schistosoma mansoni	agrin	0.0042	0.0057	0.007
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0086	0.0065
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0162	0.0854	0.1058
Trypanosoma brucei	hypothetical protein, conserved	0.024	0.1376	1
Schistosoma mansoni	hypothetical protein	0.0562	0.3526	0.4369
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0049	0.0102	0.0127
Mycobacterium tuberculosis	Probable lipase LipE	0.024	0.1376	0.1153
Echinococcus granulosus	geminin	0.0562	0.3526	1
Toxoplasma gondii	ABC1 family protein	0.024	0.1376	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0136	0.0686	0.085
Brugia malayi	RNA recognition motif domain containing protein	0.0136	0.0686	0.085
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0059	0.0073
Trichomonas vaginalis	glutaminase, putative	0.1243	0.8071	1
Brugia malayi	hypothetical protein	0.0062	0.0187	0.0232
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0034	0.5067
Loa Loa (eye worm)	glutaminase	0.1243	0.8071	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.024	0.1376	0.1705
Brugia malayi	RNA binding protein	0.0136	0.0686	0.085
Mycobacterium tuberculosis	Probable esterase LipL	0.024	0.1376	0.1153
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0686	0.085
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0057	0.007
Echinococcus granulosus	snurportin 1	0.0358	0.2167	0.6144
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.029	0.0318
Brugia malayi	beta-lactamase family protein	0.024	0.1376	0.1705
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0062	0.0187	0.0531
Brugia malayi	secreted modular calcium-binding protein 1	0.0042	0.0057	0.007
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0067	1
Echinococcus granulosus	lamin	0.0091	0.0385	0.1091
Echinococcus granulosus	chromobox protein 1	0.0077	0.029	0.0821
Echinococcus granulosus	follistatin	0.0042	0.0057	0.0161
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0057	0.007
Onchocerca volvulus		0.0062	0.0187	0.1349
Plasmodium vivax	hypothetical protein, conserved	0.024	0.1376	1
Schistosoma mansoni	transcription factor btf3	0.0039	0.0034	0.0042
Loa Loa (eye worm)	agrin synaptic family protein	0.0042	0.0057	0.007
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0048	0.0093	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1414	0.1752
Schistosoma mansoni	survival motor neuron protein	0.005	0.011	0.0137
Loa Loa (eye worm)	glutaminase 2	0.1243	0.8071	1
Mycobacterium ulcerans	beta-lactamase	0.024	0.1376	0.1438
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.007
Echinococcus multilocularis	follistatin	0.0042	0.0057	0.0161
Leishmania major	hypothetical protein, conserved	0.024	0.1376	1
Schistosoma mansoni	chromobox protein	0.0077	0.029	0.0359
Echinococcus multilocularis	chromobox protein 1	0.0077	0.029	0.0821
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0064	0.0038
Onchocerca volvulus		0.005	0.011	0.0789
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.024	0.1376	0.1705
Onchocerca volvulus		0.0062	0.0187	0.1349
Trypanosoma cruzi	hypothetical protein, conserved	0.024	0.1376	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0686	0.085
Loa Loa (eye worm)	beta-lactamase	0.024	0.1376	0.1705
Brugia malayi	cytoplasmic intermediate filament protein	0.0049	0.0102	0.0127
Schistosoma mansoni	hypothetical protein	0.0058	0.0161	0.0199
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0062	0.0187	0.0232
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0062	0.0187	0.0531
Brugia malayi	beta-lactamase family protein	0.024	0.1376	0.1705
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.024	0.1376	0.1705
Mycobacterium ulcerans	glutaminase	0.1243	0.8071	1
Echinococcus multilocularis	musashi	0.0091	0.0385	0.1091
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0034	0.0246
Onchocerca volvulus		0.0062	0.0187	0.1349
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0057	0.0412
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0057	0.0412
Loa Loa (eye worm)	intermediate filament protein	0.0091	0.0385	0.0477
Schistosoma mansoni	hypothetical protein	0.0358	0.2167	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.007
Trypanosoma brucei	beta lactamase	0.0071	0.0252	0.1831
Mycobacterium tuberculosis	Probable lipase LipD	0.024	0.1376	0.1153
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0057	0.0412
Mycobacterium ulcerans	lipase LipD	0.024	0.1376	0.1438
Echinococcus multilocularis	agrin	0.0042	0.0057	0.0161
Echinococcus granulosus	chromobox protein 1	0.0077	0.029	0.0821
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0034	0.0246
Mycobacterium leprae	Probable lipase LipE	0.024	0.1376	1
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0034	0.0246
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0064	0.0452
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.0067	1
Schistosoma mansoni	hypothetical protein	0.0562	0.3526	0.4369
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0863	0.5537	0.676
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.007
Brugia malayi	sodium-independent organic anion transporter family protein	0.0062	0.0187	0.0232
Brugia malayi	SPARC precursor	0.0042	0.0057	0.007
Onchocerca volvulus		0.0062	0.0187	0.1349
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.0824	0.2336
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0034	0.0096
Onchocerca volvulus	Putative organic anion transporter	0.0062	0.0187	0.1349
Mycobacterium tuberculosis	Conserved protein	0.024	0.1376	0.1153
Onchocerca volvulus		0.024	0.1376	1
Loa Loa (eye worm)	acetyltransferase	0.0162	0.0854	0.1058
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0149	0.0768	0.0529
Trichomonas vaginalis	penicillin-binding protein, putative	0.024	0.1376	0.167
Onchocerca volvulus		0.024	0.1376	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0048	0.0093	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0059	0.0073
Brugia malayi	RNA, U transporter 1	0.0095	0.0413	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0686	0.085
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.024	0.1376	0.1153
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0044	0.007	0.0198
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0686	0.085
Loa Loa (eye worm)	RNA binding protein	0.0136	0.0686	0.085
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0086	0.0611
Brugia malayi	chromobox protein homolog 3	0.0043	0.0064	0.0079
Mycobacterium tuberculosis	Probable hydrolase	0.024	0.1376	0.1153
Trypanosoma cruzi	hypothetical protein, conserved	0.024	0.1376	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.0093	0.0676
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.0093	0.0264
Loa Loa (eye worm)	hypothetical protein	0.009	0.0374	0.0463
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.029	0.0318
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.024	0.1376	0.1705
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.024	0.1376	0.1438
Echinococcus granulosus	transcription factor btf3	0.0039	0.0034	0.0096
Schistosoma mansoni	glutaminase	0.1243	0.8071	1
Onchocerca volvulus		0.0042	0.0057	0.04
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0187	0.0232
Trichomonas vaginalis	penicillin-binding protein, putative	0.024	0.1376	0.167
Echinococcus multilocularis	lamin	0.0091	0.0385	0.1091
Schistosoma mansoni	lamin	0.0091	0.0385	0.0477
Brugia malayi	Heterochromatin protein 1	0.0077	0.029	0.0359
Brugia malayi	prostaglandin transporter	0.0062	0.0187	0.0232
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.0093	0.0676
Schistosoma mansoni	follistatin	0.0042	0.0057	0.007
Schistosoma mansoni	lamin	0.0091	0.0385	0.0477
Brugia malayi	hypothetical protein	0.0062	0.0187	0.0232
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0067	0.5
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0057	0.007
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.011	0.0137
Echinococcus multilocularis	geminin	0.0562	0.3526	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0044	0.007	0.0198
Trichomonas vaginalis	D-aminoacylase, putative	0.024	0.1376	0.167
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0042	0.0057	0.007
Brugia malayi	TAR-binding protein	0.0136	0.0686	0.085
Mycobacterium tuberculosis	Conserved protein	0.024	0.1376	0.1153
Schistosoma mansoni	hypothetical protein	0.005	0.011	0.0137
Loa Loa (eye worm)	hypothetical protein	0.024	0.1376	0.1705
Mycobacterium tuberculosis	Conserved protein	0.024	0.1376	0.1153
Schistosoma mansoni	intermediate filament proteins	0.0091	0.0385	0.0477
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0042	0.0057	0.0412
Mycobacterium ulcerans	esterase/lipase LipP	0.024	0.1376	0.1438
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0149	0.0768	0.0659
Brugia malayi	beta-NAC-like protein	0.0039	0.0034	0.0042
Trichomonas vaginalis	D-aminoacylase, putative	0.024	0.1376	0.167
Schistosoma mansoni	organic anion transporter	0.0062	0.0187	0.0232
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.024	0.1376	0.1153
Brugia malayi	acetyltransferase, GNAT family protein	0.0162	0.0854	0.1058
Echinococcus granulosus	beta LACTamase domain containing family member	0.024	0.1376	0.3903
Onchocerca volvulus		0.0091	0.0385	0.2787

Activities

Activity type	Activity value	Assay description	Source	Reference
Kinact (binding)	= 14 uM	Inhibition of Arabidopsis thaliana recombinant ABA 8-hydroxylase	ChEMBL.	18164621
Kinact (binding)	= 14 uM	Inhibition of Arabidopsis thaliana recombinant ABA 8-hydroxylase	ChEMBL.	18164621

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 513713