TDR Targets

Basic information

Technical information

TDR Targets ID: 232464
Name: 1-[(4-methylphenyl)-(4-phenyl-1H-pyrrol-3-yl) methyl]imidazole
MW: 313.396 | Formula: C21H19N3
H donors: 1 H acceptors: 1 LogP: 4.08 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(c1c[nH]cc1c1ccccc1)n1cncc1
InChi: 1S/C21H19N3/c1-16-7-9-18(10-8-16)21(24-12-11-22-15-24)20-14-23-13-19(20)17-5-3-2-4-6-17/h2-15,21,23H,1H3
InChiKey: JEVPGEQVOZXWRA-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

1-[(4-phenyl-1H-pyrrol-3-yl)-(p-tolyl)methyl]imidazole
170938-56-4
1H-Imidazole, 1-[(4-methylphenyl)(4-phenyl-1H-pyrrol-3-yl)methyl]-
AIDS-045441
AIDS045441
1H-Imidazole, 1-((4-methylphenyl)(4-phenyl-1H-pyrrol-3-yl)methyl)-

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
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0037	0.0756	0.2543
Schistosoma mansoni	kinase	0.0047	0.1147	0.1147
Schistosoma mansoni	endonuclease related	0.0037	0.0756	0.0756
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.2972	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.2972	0.4241
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1058	0.1058
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1749	0.1749
Loa Loa (eye worm)	glutaminase 2	0.0269	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Leishmania major	endonuclease G, putative	0.0037	0.0756	0.2543
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.2972	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.2972	1
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0037	0.0756	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1058	0.1058
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1058	0.356
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1058	0.356
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0062	0.1749	0.1749
Giardia lamblia	Kinase, PLK	0.0093	0.2972	1
Trypanosoma cruzi	endonuclease G, putative	0.0037	0.0756	0.2543
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0135	0.4632	0.4632
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1058	0.1058
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2972	0.2972
Trypanosoma brucei	polo-like protein kinase	0.0093	0.2972	1
Brugia malayi	endonuclease G, mitochondrial precursor	0.0037	0.0756	0.0756
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Trypanosoma brucei	endonuclease G, putative	0.0037	0.0756	0.2543
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1058	0.1058
Trypanosoma brucei	endonuclease G, putative	0.0037	0.0756	0.2543
Echinococcus granulosus	Endonuclease G	0.0037	0.0756	0.2543
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0062	0.1749	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1749	0.1749
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0	0.5
Mycobacterium ulcerans	glutaminase	0.0269	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2972	1
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0062	0.1749	0.1749
Echinococcus multilocularis	Endonuclease G	0.0037	0.0756	0.2543
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1749	0.1749
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1058	0.356
Trypanosoma brucei	endonuclease G, putative	0.0037	0.0756	0.2543
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1058	0.356
Schistosoma mansoni	glutaminase	0.0269	1	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0062	0.1749	0.1749
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.2972	0.2972
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0053	0.1358	0.4569
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.2972	1
Schistosoma mansoni	hypothetical protein	0.0135	0.4632	0.4632
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0037	0.0756	0.2543
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1098	0.1098
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0135	0.4632	0.4632
Loa Loa (eye worm)	glutaminase	0.0269	1	1
Trichomonas vaginalis	glutaminase, putative	0.0269	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1058	0.1058
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0037	0.0756	0.2543
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1098	0.1098
Echinococcus multilocularis	ectonucleotide	0.0053	0.1358	0.4569
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0062	0.1749	0.5886
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Echinococcus granulosus	ectonucleotide	0.0053	0.1358	0.4569
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1358	0.1358
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2972	1
Onchocerca volvulus		0.0135	0.4632	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.2972	0.2972
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0053	0.1358	0.4569
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0	0.5
Trypanosoma cruzi	endonuclease G, putative	0.0037	0.0756	0.2543
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2972	0.2972
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0062	0.1749	0.1749

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 48.4 ug ml-1	Inhibitory activity against Candida albicans (40 clinical isolates), determined at pH-7.2	ChEMBL.	7473549
MIC (functional)	= 48.4 ug ml-1	Inhibitory activity against Candida albicans (40 clinical isolates), determined at pH-7.2	ChEMBL.	7473549
MIC (functional)	= 51.6 ug ml-1	Inhibitory activity against Candida. species. (40 clinical isolates), determined at pH-7.2	ChEMBL.	7473549
MIC (functional)	= 71 ug ml-1	Inhibitory activity against Candida. species. (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC (functional)	= 133.3 ug ml-1	Inhibitory activity against Candida albicans (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC (functional)	= 133.3 ug ml-1	Inhibitory activity against Candida albicans (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC50 (functional)	= 32 ug ml-1	50% inhibitory activity against Candida albicans (40 clinical isolates) determined at pH-7.2	ChEMBL.	7473549
MIC50 (functional)	= 32 ug ml-1	50% inhibitory activity against Candida albicans (40 clinical isolates) determined at pH-7.2	ChEMBL.	7473549
MIC50 (functional)	= 64 ug ml-1	50% inhibitory activity against the Candida. species (40 clinical isolates) was determined at pH-7.2	ChEMBL.	7473549
MIC50 (functional)	= 64 ug ml-1	90% inhibitory activity against the Candida. species (40 clinical isolates) was determined at pH-7.2	ChEMBL.	7473549
MIC50 (functional)	= 64 ug ml-1	50% inhibitory activity against Candida albicans (40 clinical isolates) determined at pH-7.2	ChEMBL.	7473549
MIC50 (functional)	= 64 ug ml-1	Inhibitory activity against Candida .species (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC50 (functional)	= 64 ug ml-1	50% inhibitory activity against Candida albicans (40 clinical isolates) determined at pH-7.2	ChEMBL.	7473549
MIC90 (functional)	= 64 ug ml-1	Inhibitory activity against the Candida albicans (40 clinical isolates), determined at pH-7.2	ChEMBL.	7473549
MIC90 (functional)	= 64 ug ml-1	Inhibitory activity against the Candida albicans (40 clinical isolates), determined at pH-7.2	ChEMBL.	7473549
MIC90 (functional)	= 256 ug ml-1	Inhibitory activity against the Candida albicans (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC90 (functional)	= 256 ug ml-1	Inhibitory activity against Candida .species (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
MIC90 (functional)	= 256 ug ml-1	Inhibitory activity against the Candida albicans (40 clinical isolates), determined at pH-5.8	ChEMBL.	7473549
R (functional)	= 0 %	Resistance against Candida. albicans (40 clinical isolates) at 256 microg/mL (pH=7.2), activity is expressed as R%.	ChEMBL.	7473549
R (functional)	= 0 %	Percent resistance against all Candida. species (40 clinical isolates) at 256 micro g/mL (pH=7.2), activity is expressed as R%.	ChEMBL.	7473549
R (functional)	= 0 %	Percent resistance against Candida albicans (40 clinical isolates) at 256 micro g/mL (pH=5.8), activity is expressed as R%.	ChEMBL.	7473549
R (functional)	= 0 %	Resistance against all Candida. species (40 clinical isolates) at 256 micro g/mL (pH=5.8). Activity is expressed as R%.	ChEMBL.	7473549
R (functional)	= 0 %	Resistance against Candida. albicans (40 clinical isolates) at 256 microg/mL (pH=7.2), activity is expressed as R%.	ChEMBL.	7473549
R (functional)	= 0 %	Percent resistance against Candida albicans (40 clinical isolates) at 256 micro g/mL (pH=5.8), activity is expressed as R%.	ChEMBL.	7473549

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: CHEMBL135010
PubChem: 465977

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 232464