TDR Targets

Basic information

Technical information

TDR Targets ID: 1320302
Name: 4-[3-[(4-chlorophenyl)amino]-5,7-dimethylimid azo[1,2-a]pyrimidin-2-yl]-2-methoxyphenol
MW: 394.854 | Formula: C21H19ClN4O2
H donors: 2 H acceptors: 3 LogP: 5.69 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1O)c1nc2n(c1Nc1ccc(cc1)Cl)c(C)cc(n2)C
InChi: 1S/C21H19ClN4O2/c1-12-10-13(2)26-20(24-16-7-5-15(22)6-8-16)19(25-21(26)23-12)14-4-9-17(27)18(11-14)28-3/h4-11,24,27H,1-3H3
InChiKey: AVABMBLOEJNWII-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

4-[3-[(4-chlorophenyl)amino]-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl]-2-methoxy-phenol
4-[3-[(4-chlorophenyl)amino]-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl]-2-methoxyphenol
C239-0757
NCGC00105879-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	amidase	0.0563	0.1151	0.1151
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0031	0.0269
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0031	0.0021
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.001	0.001
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0014	0.0014
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.001	0.3195
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0031	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0025	0.0015
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.1248	0.2627	1
Plasmodium falciparum	phd finger protein, putative	0.0034	0.001	0.0086
Brugia malayi	MH2 domain containing protein	0.0144	0.0248	0.0248
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.0361	0.0361
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.1733	0.1725
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0031	0.0269
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.001	0.3195
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0248	0.0248
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0025	0.0025
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0031	0.5
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0563	0.1151	0.5
Brugia malayi	Amidase family protein	0.0563	0.1151	0.1151
Trypanosoma brucei	glucosidase, putative	0.0044	0.0031	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0014
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.003	0.0021
Echinococcus granulosus	tumor protein p63	0.0408	0.0816	0.0807
Loa Loa (eye worm)	amidase	0.0563	0.1151	0.1151
Mycobacterium ulcerans	thymidine phosphorylase	0.1248	0.2627	1
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0563	0.1151	0.5
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0563	0.1151	0.1142
Brugia malayi	jmjC domain containing protein	0.0111	0.0176	0.0176
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.003	0.0021
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0563	0.1151	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0031	0.0021
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0563	0.1151	1
Loa Loa (eye worm)	hypothetical protein	0.4669	1	1
Brugia malayi	Amidase family protein	0.0563	0.1151	0.1151
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0563	0.1151	1
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0563	0.1151	0.2354
Echinococcus multilocularis	tumor protein p63	0.0408	0.0816	0.0807
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.0176	0.0166
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.0361	0.0361
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.001	0.001
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.0361	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0062	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0053	0.005	0.005
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.4669	1	1
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0563	0.1151	0.1142
Giardia lamblia	PHD finger protein 15	0.0034	0.001	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.005	0.005
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0031	0.0269
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0031	0.5
Mycobacterium ulcerans	amidase	0.0563	0.1151	0.2354
Brugia malayi	hypothetical protein	0.0043	0.003	0.003
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0563	0.1151	0.2354
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0031	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0031	0.5
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0563	0.1151	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0563	0.1151	0.1142
Mycobacterium ulcerans	peptide amidase, GatA	0.0563	0.1151	0.2354
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0025	0.0015
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0031	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0031	0.5
Trypanosoma cruzi	amidase, putative	0.0563	0.1151	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0014	0.0004
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0563	0.1151	0.1142
Schistosoma mansoni	hypothetical protein	0.0043	0.003	0.0021
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.0176	0.0166
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0563	0.1151	0.1142
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0248	0.0248
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.005	0.005
Onchocerca volvulus		0.0114	0.0182	1
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0563	0.1151	0.2354
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0563	0.1151	0.2354
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.0038	0.0029
Loa Loa (eye worm)	hypothetical protein	0.006	0.0066	0.0066
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.4669	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0066	0.0056
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0031	0.5
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0302	0.0292
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.001	0.0086
Schistosoma mansoni	alpha glucosidase	0.0044	0.0031	0.0021
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0031	1
Schistosoma mansoni	amidase	0.4669	1	1
Mycobacterium ulcerans	amidase	0.0563	0.1151	0.2354
Brugia malayi	jmjC domain containing protein	0.0041	0.0025	0.0025
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0361	0.0351
Echinococcus granulosus	thymidine phosphorylase	0.1248	0.2627	0.262
Schistosoma mansoni	fatty-acid amide hydrolase	0.4669	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.0127	0.0117
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0025	0.0015
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0563	0.1151	0.2354
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0031	0.5
Onchocerca volvulus		0.006	0.0066	0.3234
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.1733	0.1725
Brugia malayi	Bromodomain containing protein	0.0034	0.001	0.001
Trypanosoma cruzi	amidase, putative	0.0563	0.1151	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0563	0.1151	0.2354
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0563	0.1151	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.003	0.0021
Brugia malayi	PHD-finger family protein	0.0034	0.001	0.001
Leishmania major	hypothetical protein, conserved	0.0563	0.1151	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.0088	0.0088
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.0038	0.0029
Brugia malayi	putative amidase	0.0563	0.1151	0.1151
Mycobacterium ulcerans	amidase	0.0563	0.1151	0.2354
Mycobacterium ulcerans	amidase	0.0563	0.1151	0.2354
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0025	0.0015
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.1733	0.1725
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0302	0.0292
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0031	0.0031
Mycobacterium ulcerans	amidase	0.0563	0.1151	0.2354
Echinococcus multilocularis	thymidine phosphorylase	0.1248	0.2627	0.262
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0031	0.0031
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0031	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.005	0.005
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0361	0.0351
Schistosoma mansoni	fatty-acid amide hydrolase	0.0563	0.1151	0.1142
Echinococcus granulosus	fatty acid amide hydrolase 1	0.4669	1	1
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0563	0.1151	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.4669	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5174 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)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1438649

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 1320302