TDR Targets

Basic information

Technical information

TDR Targets ID: 870541
Name: 1-[(2-chlorophenyl)methyl]benzimidazol-2-amin e
MW: 257.718 | Formula: C14H12ClN3
H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1Cn1c(N)nc2c1cccc2
InChi: 1S/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChiKey: PZLAZHLMSZCPEY-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-[(2-chlorophenyl)methyl]-2-benzimidazolamine
[1-(2-chlorobenzyl)benzimidazol-2-yl]amine
1-(2-Chloro-benzyl)-1H-benzoimidazol-2-ylamine
BAS 00619170
Oprea1_816695
ZINC00255087
Oprea1_776655
STK213373

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nucleotide-binding oligomerization domain containing 2	Starlite/ChEMBL	No references
Homo sapiens	nucleotide-binding oligomerization domain containing 1	Starlite/ChEMBL	No references
Homo sapiens	tumor necrosis factor	Starlite/ChEMBL	No references

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	transient receptor potential cation channel	0.0003	0.0033	0.0033
Echinococcus granulosus	BC026374 protein S09 family	0.0012	0.1235	0.1235
Echinococcus granulosus	caspase 2	0.0075	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.00000022526	0.00000022526
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.1235	0.1235
Loa Loa (eye worm)	carboxylesterase	0.0012	0.1235	0.1235
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0012	0.1235	1
Brugia malayi	Carboxylesterase family protein	0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0003	0.00000022526	0.00000022526
Schistosoma mansoni	hypothetical protein	0.0075	1	1
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.0033	0.0033
Echinococcus granulosus	carboxylesterase 5A	0.0071	0.9459	0.9459
Mycobacterium ulcerans	carboxylesterase, LipT	0.0012	0.1235	0.5
Schistosoma mansoni	transient receptor potential channel	0.0003	0.00000022526	0.00000022526
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0075	1	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0012	0.1235	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Echinococcus multilocularis	transient receptor potential cation channel	0.0003	0.00000022526	0.00000022526
Onchocerca volvulus		0.0012	0.1235	0.1235
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.1235	0.1235
Echinococcus granulosus	acetylcholinesterase	0.0071	0.9459	0.9459
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Toxoplasma gondii	hypothetical protein	0.0003	0	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Echinococcus granulosus	short transient receptor potential channel 6	0.0003	0.0033	0.0033
Toxoplasma gondii	hypothetical protein	0.0003	0	0.5
Schistosoma mansoni	acetylcholinesterase	0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0075	1	1
Onchocerca volvulus		0.0012	0.1235	0.1235
Loa Loa (eye worm)	carboxylesterase	0.0012	0.1235	0.1235
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0003	0	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0071	0.9459	0.9459
Schistosoma mansoni	caspase-7 (C14 family)	0.0075	1	1
Onchocerca volvulus		0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Echinococcus granulosus	neuroligin	0.0012	0.1235	0.1235
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0012	0.1235	0.1235
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0003	0	0.5
Onchocerca volvulus		0.0012	0.1235	0.1235
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0071	0.9459	0.9459
Trichomonas vaginalis	spcc417.12 protein, putative	0.0012	0.1235	1
Schistosoma mansoni	transient receptor potential channel	0.0003	0.00000022526	0.00000022526
Brugia malayi	olfactory channel protein osm-9	0.0003	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0003	0.00000022526	0.00000022526
Brugia malayi	hypothetical protein	0.0012	0.1235	0.1235
Schistosoma mansoni	gliotactin	0.0012	0.1235	0.1235
Echinococcus multilocularis	transient receptor potential cation channel	0.0003	0.0033	0.0033
Loa Loa (eye worm)	acetylcholinesterase 1	0.0071	0.9459	0.9459
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0003	0	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0012	0.1235	0.1235
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0003	0	0.5
Schistosoma mansoni	transient receptor potential channel	0.0003	0.0033	0.0033
Brugia malayi	Carboxylesterase family protein	0.0012	0.1235	0.1235
Echinococcus multilocularis	acetylcholinesterase	0.0071	0.9459	0.9459
Onchocerca volvulus	Cell death protein 3 homolog	0.0075	1	1
Onchocerca volvulus		0.0075	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0012	0.1235	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0012	0.1235	0.1235
Leishmania major	hypothetical protein, conserved	0.0003	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0012	0.1235	0.1235
Loa Loa (eye worm)	carboxylesterase	0.0071	0.9459	0.9459
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0003	0	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0012	0.1235	0.1235
Brugia malayi	hypothetical protein	0.0075	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0003	0	0.5
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.00000022526	0.00000022526
Brugia malayi	Carboxylesterase family protein	0.0071	0.9459	0.9459
Leishmania major	hypothetical protein, unknown function	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.0033	0.0033
Onchocerca volvulus		0.0012	0.1235	0.1235
Brugia malayi	Carboxylesterase family protein	0.0012	0.1235	0.1235
Echinococcus multilocularis	short transient receptor potential channel 6	0.0003	0.0033	0.0033
Echinococcus multilocularis	carboxylesterase 5A	0.0071	0.9459	0.9459
Toxoplasma gondii	transporter, cation channel family protein	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.9459	0.9459
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0012	0.1235	0.1235
Toxoplasma gondii	transporter, cation channel family protein	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.9459	0.9459
Echinococcus multilocularis	neuroligin	0.0012	0.1235	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1235	0.1235
Toxoplasma gondii	transporter, cation channel family protein	0.0003	0	0.5
Echinococcus granulosus	apoptotic protease activating factor 1	0.0075	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0012	0.1235	0.1235
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.1235	0.1235
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0012	0.1235	0.5
Schistosoma mansoni	hypothetical protein	0.0059	0.7812	0.7812
Echinococcus multilocularis	caspase 2	0.0075	1	1
Brugia malayi	Carboxylesterase family protein	0.0071	0.9459	0.9459
Loa Loa (eye worm)	hypothetical protein	0.0075	1	1
Echinococcus granulosus	acetylcholinesterase	0.0071	0.9459	0.9459

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12.5 uM	PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1852, AID2469, AID2483, AID2485, AID2800, AID2801]	ChEMBL.	No reference
IC50 (functional)	= 12.9 uM	PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1575, AID1578, AID2335, AID2466, AID2469, AID2505, AID2798, AID2800]	ChEMBL.	No reference
IC50 (functional)	= 15.3 uM	PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1848, AID1849, AID1852, AID2469, AID2475, AID2799, AID2800]	ChEMBL.	No reference

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: CHEMBL1700643
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 870541