TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 215.251 | Formula: C12H13N3O
H donors: 1 H acceptors: 2 LogP: 1.8 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CNC(=O)n1cccn1
InChi: 1S/C12H13N3O/c1-10-3-5-11(6-4-10)9-13-12(16)15-8-2-7-14-15/h2-8H,9H2,1H3,(H,13,16)
InChiKey: OKVGUEAJOFIIFP-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

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)	aryl Hydrocarbon receptor Associated protein family member	0.0013	0.0093	0.0093
Schistosoma mansoni	hypothetical protein	0.0192	0.6226	0.6226
Echinococcus granulosus	single minded 2	0.0038	0.0949	0.0949
Trypanosoma brucei	cytochrome P450, putative	0.002	0.0318	0.0076
Echinococcus granulosus	death domain containing protein	0.0016	0.0189	0.0189
Echinococcus multilocularis	Ankyrin	0.0016	0.0194	0.0194
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0013	0.0093	0.0093
Onchocerca volvulus		0.0241	0.7904	0.7904
Echinococcus granulosus	netrin receptor unc 5	0.0016	0.0189	0.0189
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0301	1	1
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0245	0.0245
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0093	0.0093
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0245	0.0245
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0245	0.0245
Schistosoma mansoni	hypothetical protein	0.0016	0.0189	0.0189
Brugia malayi	Cytochrome P450 family protein	0.0048	0.1279	0.1279
Loa Loa (eye worm)	hypothetical protein	0.0174	0.5612	0.5612
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0014	0.0108	0.0016
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0016	0.0189	0.0189
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0245	0.0153
Schistosoma mansoni	hypothetical protein	0.0192	0.6226	0.6226
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0014	0.0108	0.0016
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.0318	0.0227
Brugia malayi	MAP kinase sur-1	0.005	0.1342	0.1342
Brugia malayi	Cytochrome P450 family protein	0.002	0.0318	0.0318
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.1342	0.1125
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.0189	0.0189
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.103	0.103
Leishmania major	protein kinase, putative	0.0014	0.0108	0.0016
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0301	1	1
Mycobacterium leprae	Possible regulatory protein	0.0013	0.0093	0.5
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.1342	0.126
Brugia malayi	Death domain containing protein	0.0016	0.0189	0.0189
Onchocerca volvulus		0.0038	0.0949	0.0949
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.1342	0.1342
Leishmania major	eukaryotic initiation factor 4a, putative	0.0301	1	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0301	1	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0052	0.1413	0.1413
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0189	0.0189
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0013	0.0093	0.0093
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1342	0.126
Brugia malayi	Pax transcription factor protein 2	0.0241	0.7904	0.7904
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0301	1	1
Brugia malayi	Cytochrome P450 family protein	0.002	0.0318	0.0318
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0301	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.1342	0.1342
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1342	0.126
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0949	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0245	0.0245
Brugia malayi	PAS domain containing protein	0.0052	0.1413	0.1413
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0301	1	1
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0245	0.0245
Onchocerca volvulus		0.0013	0.0093	0.0093
Echinococcus granulosus	Ankyrin	0.0016	0.0194	0.0194
Brugia malayi	hypothetical protein	0.0041	0.103	0.103
Plasmodium vivax	RNA helicase-1, putative	0.0301	1	1
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0013	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0194	0.0194
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.1342	0.1342
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1342	0.1342
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.1279	0.1279
Schistosoma mansoni	hypothetical protein	0.0041	0.103	0.103
Treponema pallidum	ATP-dependent RNA helicase	0.0301	1	0.5
Echinococcus granulosus	nuclear factor of activated T cells 5	0.025	0.823	0.823
Echinococcus multilocularis	netrin receptor unc 5	0.0016	0.0189	0.0189
Schistosoma mansoni	netrin receptor unc5	0.0016	0.0189	0.0189
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1342	0.126
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0301	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1342	0.126
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0205	0.0205
Onchocerca volvulus	Netrin receptor homolog	0.0016	0.0189	0.0189
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0245	0.0153
Brugia malayi	hypothetical protein	0.0174	0.5612	0.5612
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.1342	0.126
Echinococcus granulosus	aryl hydrocarbon receptor	0.0013	0.0093	0.0093
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1342	0.126
Brugia malayi	bHLH-PAS transcription factor	0.0038	0.0949	0.0949
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0014	0.0108	0.0016
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.1342	0.126
Leishmania major	eukaryotic initiation factor 4a, putative	0.0301	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0318	0.0318
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0245	0.0245
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.0318	0.0227
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.1342	0.1342
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0301	1	1
Loa Loa (eye worm)	pax transcription factor protein 2	0.0241	0.7904	0.7904
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0245	0.0245
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0301	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0318	0.0318
Brugia malayi	Uncoordinated protein 44	0.0016	0.0189	0.0189
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0245	0.0153
Brugia malayi	hypoxia-induced factor 1	0.016	0.5149	0.5149
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0245	0.0245
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.1342	0.1342
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0301	1	1
Schistosoma mansoni	single-minded	0.0052	0.1413	0.1413
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.103	0.103
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0016	0.0194	0.0194
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0245	0.0245
Echinococcus granulosus	geminin	0.0192	0.6226	0.6226
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.1342	0.1125
Echinococcus multilocularis	transfer RNA-Lys	0.0038	0.0949	0.0949
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0189	0.0189
Loa Loa (eye worm)	CYP4Cod1	0.002	0.0318	0.0318
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1342	0.126
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.025	0.823	0.823
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0245	0.0245
Loa Loa (eye worm)	hypoxia-induced factor 1	0.016	0.5149	0.5149
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0301	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.103	0.103
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0301	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0301	1	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0301	1	1
Trypanosoma brucei	protein kinase, putative	0.005	0.1342	0.1125
Leishmania major	cytochrome p450-like protein	0.002	0.0318	0.0227
Leishmania major	protein kinase, putative	0.0014	0.0108	0.0016
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0301	1	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0301	1	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.0189	0.0189
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0014	0.0108	0.0016
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.1342	0.126
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0013	0.0093	0.5
Echinococcus multilocularis	geminin	0.0192	0.6226	0.6226
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0301	1	1

Activities

No activities found for this compound.

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: CHEMBL3318677

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 922062