TDR Targets

Basic information

Technical information

TDR Targets ID: 1437249
Name: 2-(2-chlorobenzimidazol-1-yl)ethanol
MW: 196.634 | Formula: C9H9ClN2O
H donors: 1 H acceptors: 2 LogP: 1.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OCCn1c(Cl)nc2c1cccc2
InChi: 1S/C9H9ClN2O/c10-9-11-7-3-1-2-4-8(7)12(9)5-6-13/h1-4,13H,5-6H2
InChiKey: XHXRGDWCSOGFTK-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-(2-chloro-1-benzimidazolyl)ethanol
MLS000529017
SMR000121492
2-(2-Chloro-benzoimidazol-1-yl)-ethanol
BAS 07386328
ZINC00808296
SBB010958

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.047	0.1502	0.3797
Brugia malayi	FAT domain containing protein	0.0266	0.0441	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.036	0.0928	0.2347
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0292	0.0574	0.1776
Loa Loa (eye worm)	hypothetical protein	0.0399	0.1133	0.2667
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0785	0.3144	0.313
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.036	0.0928	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0626	0.2315	0.5854
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0455	0.1425	0.1408
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0638	0.2382	0.6023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0457	0.1437	0.3634
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1097	0.4774	0.4764
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0785	0.3144	0.7939
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.036	0.0928	0.091
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0292	0.0574	0.0556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.257	0.6499
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0532	0.1827	0.5786
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0638	0.2382	0.2367
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.036	0.0928	0.091
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0185	0.0019	0.0049
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.21	1	1
Toxoplasma gondii	FATC domain-containing protein	0.036	0.0928	0.324
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0185	0.0019	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0638	0.2382	0.6023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.3955	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0687	0.2635	0.6662
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0736	0.289	0.7293
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0736	0.2889	0.7304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0736	0.2889	0.7304
Trichomonas vaginalis	conserved hypothetical protein	0.0399	0.1133	0.2865
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0785	0.3144	0.7939
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0185	0.0019	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.257	0.6499
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0785	0.3144	0.313
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0185	0.0019	0.0049
Echinococcus multilocularis	serine protein kinase ATM	0.036	0.0928	0.091
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0506	0.1689	0.5345
Echinococcus granulosus	serine protein kinase ATM	0.036	0.0928	0.091
Loa Loa (eye worm)	hypothetical protein	0.0314	0.0693	0.1622
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0626	0.2315	0.5834
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.094	0.3955	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0785	0.3144	0.7939
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0369	0.0976	0.2377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0626	0.2315	0.5854
Loa Loa (eye worm)	phosphatidylinositol 3	0.0991	0.422	1
Entamoeba histolytica	hypothetical protein	0.0532	0.1827	0.5786
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0348	0.087	0.2723
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.0441	0.1114
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0292	0.0574	0.0556
Loa Loa (eye worm)	phosphatidylinositol 3	0.094	0.3955	0.9371
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.094	0.3955	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0785	0.3144	0.313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0785	0.3144	0.7949
Entamoeba histolytica	protein kinase rad3, putative	0.036	0.0928	0.2909
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0455	0.1425	0.1408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0736	0.2889	0.7304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0736	0.2889	0.7304
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0455	0.1425	0.1408
Giardia lamblia	GTOR	0.0785	0.3144	1
Schistosoma mansoni	hypothetical protein	0.0266	0.0441	0.0422
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0448	0.1388	0.3478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.036	0.0928	0.2347
Entamoeba histolytica	hypothetical protein	0.036	0.0928	0.2909
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Loa Loa (eye worm)	hypothetical protein	0.0455	0.1425	0.336
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0292	0.0574	0.1452
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0785	0.3144	0.313
Loa Loa (eye worm)	phosphatidylinositol 3	0.0785	0.3144	0.7444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0227	0.0236	0.0596
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0292	0.0574	0.141
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.036	0.0928	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Schistosoma mansoni	fkbp-rapamycin associated protein	0.036	0.0928	0.091
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.036	0.0928	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0736	0.2889	0.7304
Loa Loa (eye worm)	hypothetical protein	0.0314	0.0693	0.1622
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0785	0.3144	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0266	0.0441	0.0422
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0292	0.0574	0.1776
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0626	0.2315	0.5834
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.21	1	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0736	0.289	0.7293
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0638	0.2382	0.2367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0674	0.2569	0.6497
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.257	0.6499
Loa Loa (eye worm)	hypothetical protein	0.0227	0.0236	0.0535
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0785	0.3144	0.7949
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.023	0.0255	0.0599
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0459	0.1446	0.1429
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0475	0.1531	0.3872
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0785	0.3144	0.313
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.21	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0638	0.2382	0.7562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0457	0.1437	0.3634
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0674	0.2568	0.6493
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0674	0.2569	0.6497
Loa Loa (eye worm)	hypothetical protein	0.0266	0.0441	0.1022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.257	0.6499
Loa Loa (eye worm)	hypothetical protein	0.036	0.0928	0.218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0626	0.2315	0.5854
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.036	0.0928	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0626	0.2315	0.5854
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.036	0.0928	0.2309
Trypanosoma cruzi	target of rapamycin kinase 3	0.0736	0.289	0.2876
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0292	0.0574	0.1452
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0638	0.2382	0.2367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0674	0.2569	0.6497
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0266	0.0441	0.0422
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1097	0.4774	0.4764
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0509	0.1706	0.4315
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0185	0.0019	0.0049
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.21	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0674	0.2568	0.8156
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0185	0.0019	0.0021
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1097	0.4774	0.4764
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0785	0.3144	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0785	0.3144	0.313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0687	0.2635	0.6662
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0292	0.0574	0.0556
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0292	0.0574	0.1452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0518	0.1757	0.4442
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0475	0.1531	0.3872
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0227	0.0236	0.0217
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.21	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0723	0.2824	0.7141
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.036	0.0928	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0785	0.3144	0.7949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0457	0.1437	0.3634
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0638	0.2382	0.6023
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0236	0.0596
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0785	0.3144	0.7939
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0723	0.2824	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0399	0.1133	0.397

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	0.7079 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1605459

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 1437249