TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.272 | Formula: C17H19Cl2N5
H donors: 1 H acceptors: 3 LogP: 4.83 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1nc(C)nc2c1nn(c2c1ccc(cc1Cl)Cl)C
InChi: 1S/C17H19Cl2N5/c1-4-5-8-20-17-15-14(21-10(2)22-17)16(24(3)23-15)12-7-6-11(18)9-13(12)19/h6-7,9H,4-5,8H2,1-3H3,(H,20,21,22)
InChiKey: CXRGDUPVJBJFNF-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	corticotropin releasing hormone receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	Get druggable targets OG5_130760	All targets in OG5_130760
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130760	All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	corticotropin releasing hormone receptor 1	444 aa	445 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0037	0.0019	0.0038
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0364	0.0364
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0037	0.0016	0.0036
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0078	0.0181
Toxoplasma gondii	TIM10 family protein, putative	0.0049	0.0198	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0037	0.0019	1
Brugia malayi	Peptidase family M1 containing protein	0.0037	0.0019	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0086	0.0086
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0037	0.0019	0.0019
Onchocerca volvulus	Phospholipase A2 homolog	0.0091	0.0826	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0016	0.0016
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0167	0.0167
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0037	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0322	0.4305	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0037	0.0019	0.097
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0204	0.253	0.253
Trichomonas vaginalis	esterase, putative	0.0037	0.0016	0.0037
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0439	0.0439
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0049	0.0198	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0037	0.0019	0.097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0167	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0019	0.0019
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0037	0.0019	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0037	0.0019	0.0019
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0037	0.0019	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0016	0.0016
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0439	0.0439
Brugia malayi	Peptidase family M1 containing protein	0.0037	0.0019	0.0045
Trypanosoma cruzi	aminopeptidase, putative	0.0037	0.0019	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0078	0.0078
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0037	0.0019	0.097
Entamoeba histolytica	hypothetical protein	0.0037	0.0016	0.8181
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0016	0.0815
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0019	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0439	0.0439
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0016	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Onchocerca volvulus		0.0037	0.0019	0.0038
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Leishmania major	hypothetical protein, conserved	0.0037	0.0016	0.8398
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0701	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0078	0.0078
Brugia malayi	TAR-binding protein	0.0065	0.0439	0.102
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0037	0.0019	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0016	0.8398
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0826	0.0826
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0016	0.0037
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0167	0.0167
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0439	0.0439
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0439	0.0439
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0042	0.0086	0.02
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0037	0.0019	0.0045
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0037	0.0019	1
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0042	0.0086	0.0086
Toxoplasma gondii	aminopeptidase N, putative	0.0037	0.0019	0.097
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0439	0.0439
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.3017	1
Brugia malayi	Phospholipase A2 family protein	0.0091	0.0826	0.1919
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0049	0.0198	0.0198
Trypanosoma brucei	Aminopeptidase M1, putative	0.0037	0.0019	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0037	0.0019	0.0045
Echinococcus granulosus	aminopeptidase N	0.0037	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0038	0.0025	0.0059
Toxoplasma gondii	aminopeptidase n, putative	0.0037	0.0019	0.097
Brugia malayi	hypothetical protein	0.0037	0.0019	0.0045
Toxoplasma gondii	aminopeptidase N protein	0.0037	0.0019	0.097
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0016	0.0016
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0042	0.0086	0.02
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0037	0.0019	0.0019
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0701	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0016	0.0016
Onchocerca volvulus		0.0037	0.0019	0.0038
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0701	1	1
Onchocerca volvulus	Phospholipase A2 homolog	0.0091	0.0826	1
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0042	0.0086	0.4358
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0016	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0016	0.0037
Entamoeba histolytica	hypothetical protein	0.0037	0.0016	0.8181
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0019	1
Brugia malayi	RNA binding protein	0.0065	0.0439	0.102
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0037	0.0019	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0086	0.0086
Brugia malayi	hypothetical protein	0.0038	0.0025	0.0059
Loa Loa (eye worm)	aminopeptidase N	0.0037	0.0019	0.0019
Brugia malayi	beta-lactamase family protein	0.0037	0.0016	0.0037
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0167	0.0167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0167	0.0167
Brugia malayi	beta-lactamase family protein	0.0037	0.0016	0.0037
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0037	0.0019	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0019	0.0019
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0439	0.102
Mycobacterium ulcerans	aminopeptidase N PepN	0.0037	0.0019	1
Brugia malayi	beta-lactamase	0.0037	0.0016	0.0037
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0167	0.0167
Trypanosoma cruzi	aminopeptidase, putative	0.0037	0.0019	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0016	0.8181
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0167	0.0167
Toxoplasma gondii	ABC1 family protein	0.0037	0.0016	0.0815
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0016	0.0037
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0204	0.253	0.253
Echinococcus multilocularis	expressed protein	0.0049	0.0198	0.0198
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0016	0.0037
Loa Loa (eye worm)	TATA binding protein associated factor	0.0037	0.0019	0.0019
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0042	0.0086	0.4358
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0049	0.0198	0.0198
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0019	1
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0049	0.0198	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0016	0.0016
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0439	0.0439
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0322	0.4304	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0019	0.0019
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0016	0.8398
Loa Loa (eye worm)	hypothetical protein	0.0245	0.3149	0.3149
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Entamoeba histolytica	aminopeptidase, putative	0.0037	0.0019	1
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0439	0.0439
Mycobacterium ulcerans	aminopeptidase N PepN	0.0037	0.0019	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0016	0.0016
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0364	0.0846
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0439	0.0439
Trypanosoma brucei	Aminopeptidase M1, putative	0.0037	0.0019	1
Brugia malayi	Peptidase family M1 containing protein	0.0037	0.0019	0.0045
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0016	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0245	0.3149	0.7314
Echinococcus granulosus	expressed protein	0.0049	0.0198	0.0198
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0016	0.8398
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0042	0.0086	0.4358
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0826	0.0826
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0037	0.0019	0.0019
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0016	0.0037
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0049	0.0198	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0037	0.0019	0.0045
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0439	0.0439
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0016	0.0016
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0016	0.0016
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0016	0.0016
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0037	0.0019	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0042	0.0086	0.02
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0167	0.0387
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0037	0.0019	0.0019
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0049	0.0198	0.0459
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0016	0.0016
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0019	0.0019
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0167	0.0167
Trypanosoma brucei	aminopeptidase, putative	0.0037	0.0019	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0037	0.0019	0.097
Echinococcus multilocularis	aminopeptidase N	0.0037	0.0019	0.0019
Brugia malayi	TATA binding protein associated factor	0.0037	0.0019	0.0045
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0019	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0322	0.4304	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0016	0.8181

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 25 nM	Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells	ChEMBL.	12127521
Ki (binding)	= 25 nM	Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells	ChEMBL.	12127521

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 108060