TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.92 | Formula: C24H24ClN3O
H donors: 2 H acceptors: 1 LogP: 4.19 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)C(=O)Nc1ccc(cc1)c1ccc(cc1)CN1CCNCC1
InChi: 1S/C24H24ClN3O/c25-22-3-1-2-21(16-22)24(29)27-23-10-8-20(9-11-23)19-6-4-18(5-7-19)17-28-14-12-26-13-15-28/h1-11,16,26H,12-15,17H2,(H,27,29)
InChiKey: BXDLQTGTGANYLA-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

No synonyms found for this compound

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
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0203	0.5
Loa Loa (eye worm)	TAR-binding protein	0.007	0.154	0.154
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.3896	0.3896
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0203	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Echinococcus granulosus	geminin	0.0174	0.6182	0.6103
Loa Loa (eye worm)	hypothetical protein	0.0051	0.072	0.072
Mycobacterium ulcerans	lipase LipD	0.004	0.0203	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0203	0.0329
Echinococcus granulosus	tar DNA binding protein	0.007	0.154	0.1364
Brugia malayi	MH2 domain containing protein	0.0123	0.3896	0.3896
Brugia malayi	RNA binding protein	0.007	0.154	0.154
Mycobacterium ulcerans	beta-lactamase	0.004	0.0203	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0203	0.0203
Schistosoma mansoni	tar DNA-binding protein	0.007	0.154	0.249
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0203	0.5
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0801	0.1296
Leishmania major	hypothetical protein, conserved	0.004	0.0203	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2768	0.2618
Schistosoma mansoni	tar DNA-binding protein	0.007	0.154	0.249
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0203	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0203	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0203	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.6182	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2768	0.4478
Brugia malayi	beta-lactamase family protein	0.004	0.0203	0.0203
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0203	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0154	0.5265	0.5167
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Echinococcus multilocularis	muscleblind protein	0.0154	0.5265	0.5167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2768	0.4478
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0203	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5265	0.5265
Loa Loa (eye worm)	beta-lactamase	0.004	0.0203	0.0203
Schistosoma mansoni	tar DNA-binding protein	0.007	0.154	0.249
Schistosoma mansoni	tar DNA-binding protein	0.007	0.154	0.249
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0203	0.5
Mycobacterium leprae	Probable lipase LipE	0.004	0.0203	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0203	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0203	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.072	0.072
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.3896	0.3896
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.154	0.154
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.154	0.154
Echinococcus multilocularis	tar DNA binding protein	0.007	0.154	0.1364
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2768	0.2618
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2768	0.2618
Toxoplasma gondii	ABC1 family protein	0.004	0.0203	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.2768	0.2768
Schistosoma mansoni	tar DNA-binding protein	0.007	0.154	0.249
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0203	0.5
Loa Loa (eye worm)	RNA binding protein	0.007	0.154	0.154
Brugia malayi	beta-lactamase family protein	0.004	0.0203	0.0203
Trichomonas vaginalis	esterase, putative	0.004	0.0203	0.5
Echinococcus multilocularis	geminin	0.0174	0.6182	0.6103
Brugia malayi	TAR-binding protein	0.007	0.154	0.154
Echinococcus granulosus	muscleblind protein	0.0154	0.5265	0.5167
Schistosoma mansoni	hypothetical protein	0.0053	0.0801	0.1296
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.2768	0.2768
Mycobacterium ulcerans	hypothetical protein	0.004	0.0203	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0203	0.0203
Schistosoma mansoni	hypothetical protein	0.0174	0.6182	1
Brugia malayi	Muscleblind-like protein	0.0154	0.5265	0.5265
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0253	0.9685	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.072	0.072
Onchocerca volvulus		0.0053	0.0801	1
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0203	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2768	0.2618
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.072	0.072
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5265	0.5265
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2768	0.4478
Brugia malayi	beta-lactamase	0.004	0.0203	0.0203

Activities

No activities found for this compound.

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: CHEMBL582592

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1078722