TDR Targets

Basic information

Technical information

TDR Targets ID: 607209
Name: 2-[3-[[3-(trifluoromethyl)phenyl]amino]imidaz o[1,2-a]pyrimidin-2-yl]phenol
MW: 370.328 | Formula: C19H13F3N4O
H donors: 2 H acceptors: 3 LogP: 5.18 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccccc1c1nc2n(c1Nc1cccc(c1)C(F)(F)F)cccn2
InChi: 1S/C19H13F3N4O/c20-19(21,22)12-5-3-6-13(11-12)24-17-16(14-7-1-2-8-15(14)27)25-18-23-9-4-10-26(17)18/h1-11,24,27H
InChiKey: SGAWAGHTDYAOGJ-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

2-[3-[[3-(trifluoromethyl)phenyl]amino]-2-imidazo[1,2-a]pyrimidinyl]phenol

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	0.0035	0.0378	0.0246
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.5796	0.653
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0906	0.0852
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.5796	0.653
Schistosoma mansoni	hypothetical protein	0.0123	0.3142	0.354
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0692	0.0692
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0692	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0246
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0378	0.047
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0173	0.4727	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0378	0.0426
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0246
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0906	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0173	0.4727	0.5325
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0378	0.0246
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0692	0.0937
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0164	0.0164
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0113	0.2844	0.2844
Brugia malayi	RNA, U transporter 1	0.0081	0.1824	0.2948
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.5796	0.653
Toxoplasma gondii	hypothetical protein	0.006	0.1146	0.2152
Brugia malayi	TAR-binding protein	0.0207	0.5796	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0378	0.0246
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.3142	0.3142
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.006	0.1146	0.2152
Onchocerca volvulus		0.005	0.0835	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.8876	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0173	0.4727	0.4727
Loa Loa (eye worm)	TAR-binding protein	0.0207	0.5796	0.6465
Loa Loa (eye worm)	RNA binding protein	0.0207	0.5796	0.6465
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0173	0.4727	1
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3453	0.3891
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0835	0.0941
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0378	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0906	0.1626
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0692	0.0606
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0113	0.2844	0.4106
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0173	0.4727	1
Echinococcus multilocularis	tar DNA binding protein	0.0207	0.5796	0.5796
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0378	0.0378
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0692	0.0779
Toxoplasma gondii	ABC1 family protein	0.0035	0.0378	0.047
Brugia malayi	hypothetical protein	0.0052	0.0906	0.1317
Schistosoma mansoni	importin beta-1	0.0029	0.0164	0.0185
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.006	0.1146	0.2152
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0378	0.0426
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0692	0.0779
Brugia malayi	RNA binding protein	0.0207	0.5796	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0906	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0246
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.3453	0.3453
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0378	0.5
Brugia malayi	beta-lactamase	0.0035	0.0378	0.038
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0173	0.4727	0.4727
Echinococcus multilocularis	tumor protein p63	0.034	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0835	0.077
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.6385	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0906	1
Brugia malayi	hypothetical protein	0.0034	0.0324	0.0284
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3453	0.3891
Schistosoma mansoni	hypothetical protein	0.0304	0.8876	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0692	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0173	0.4727	0.5237
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.006	0.1146	0.1765
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0906	1
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0164	0.0164
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0113	0.2844	0.5672
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.5796	0.653
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0378	0.0378
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0378	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.0113	0.2844	0.2844
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0378	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0378	0.5
Echinococcus granulosus	snurportin 1	0.0304	0.8876	0.8876
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0906	0.1626
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.3142	0.3142
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0173	0.4727	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0378	0.2888
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0207	0.5796	1
Echinococcus multilocularis	snurportin 1	0.0304	0.8876	0.8876
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0692	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0246
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0692	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0378	0.0246
Echinococcus granulosus	tar DNA binding protein	0.0207	0.5796	0.5796
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0378	0.038
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0113	0.2844	0.4106
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0906	0.1626
Trichomonas vaginalis	esterase, putative	0.0035	0.0378	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0906	0.1626
Brugia malayi	Probable ClpP-like protease	0.0173	0.4727	0.8102
Schistosoma mansoni	tar DNA-binding protein	0.0207	0.5796	0.653
Brugia malayi	beta-lactamase family protein	0.0035	0.0378	0.038
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0207	0.5796	0.6465
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0173	0.4727	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0378	0.038

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 100 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 100 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 1.02 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 1.02 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 2.116 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 2.116 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0.14286	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL604111
Search by Novartis-GNF Malaria Box

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 607209