TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.384 | Formula: C23H25Cl2N5O
H donors: 2 H acceptors: 1 LogP: 3.99 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1CNC(=N1)c1ccc(cc1)c1ncc(o1)c1ccc(cc1)C1=NC(CN1)C.Cl.Cl
InChi: 1S/C23H23N5O.2ClH/c1-14-11-24-21(27-14)17-5-3-16(4-6-17)20-13-26-23(29-20)19-9-7-18(8-10-19)22-25-12-15(2)28-22;;/h3-10,13-15H,11-12H2,1-2H3,(H,24,27)(H,25,28);2*1H
InChiKey: OCTLPVFAQGYYTR-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
Entamoeba histolytica	hypothetical protein	0.0133	0.0861	1
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Trichomonas vaginalis	cyclin H, putative	0.0133	0.0861	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0311	0.4942	0.4942
Loa Loa (eye worm)	cyclin domain-containing protein	0.0311	0.4942	0.4942
Loa Loa (eye worm)	cyclin domain-containing protein	0.0121	0.058	0.058
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Echinococcus multilocularis	cyclin B3 1	0.0121	0.058	0.3065
Entamoeba histolytica	cyclin family protein	0.0121	0.058	0.6735
Schistosoma mansoni	g1/s-specific cyclin C	0.0178	0.1892	1
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0121	0.058	0.3065
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0121	0.058	0.5
Echinococcus granulosus	cyclins	0.0121	0.058	0.3065
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0178	0.1892	1
Trypanosoma cruzi	cyclin, putative	0.0121	0.058	0.5
Echinococcus granulosus	cyclins	0.0121	0.058	0.3065
Entamoeba histolytica	cyclin family protein	0.0121	0.058	0.6735
Schistosoma mansoni	cyclin B3	0.0121	0.058	0.3065
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0121	0.058	0.058
Schistosoma mansoni	cyclins	0.0121	0.058	0.3065
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0121	0.058	0.3065
Trypanosoma brucei	mitotic cyclin 6	0.0121	0.058	0.5
Giardia lamblia	G2/mitotic-specific cyclin B	0.0121	0.058	0.5
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Echinococcus granulosus	cyclin dependent kinase 9	0.0112	0.0379	0.2002
Entamoeba histolytica	cyclin, putative	0.0121	0.058	0.6735
Echinococcus granulosus	cyclin B	0.0121	0.058	0.3065
Echinococcus granulosus	cyclins	0.0121	0.058	0.3065
Loa Loa (eye worm)	hypothetical protein	0.0121	0.058	0.058
Echinococcus granulosus	cyclin	0.0178	0.1892	1
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Trypanosoma cruzi	cyclin, putative	0.0121	0.058	0.5
Brugia malayi	Cyclin C	0.0178	0.1892	0.1892
Echinococcus multilocularis	cyclin B	0.0121	0.058	0.3065
Echinococcus multilocularis	cyclin dependent kinase 9	0.0112	0.0379	0.2002
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0121	0.058	0.058
Echinococcus multilocularis	cyclin	0.0178	0.1892	1
Echinococcus granulosus	cyclins	0.0121	0.058	0.3065
Loa Loa (eye worm)	cyclin domain-containing protein	0.0532	1	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.058	0.058
Echinococcus multilocularis	cyclin b3	0.0121	0.058	0.3065
Echinococcus granulosus	cyclins	0.0121	0.058	0.3065
Trypanosoma cruzi	cyclin 6, putative	0.0121	0.058	0.5
Giardia lamblia	Cyclin A	0.0121	0.058	0.5
Entamoeba histolytica	cyclin, putative	0.0121	0.058	0.6735
Giardia lamblia	Hypothetical protein	0.0121	0.058	0.5
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0178	0.1892	1
Echinococcus granulosus	cyclin b3	0.0121	0.058	0.3065
Plasmodium falciparum	cyclin	0.0121	0.058	0.5
Onchocerca volvulus		0.0121	0.058	0.5
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0121	0.058	0.5
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Loa Loa (eye worm)	cyclin C	0.0178	0.1892	0.1892
Echinococcus multilocularis	cyclins	0.0121	0.058	0.3065
Leishmania major	cyclin	0.0121	0.058	0.5
Echinococcus granulosus	cyclin B3 1	0.0121	0.058	0.3065
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0121	0.058	0.058
Schistosoma mansoni	cyclin B	0.0121	0.058	0.3065

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta MST (functional)	T 0 day	Tested for antitrypanosomal activity by screening against trypanosoma rhodesiense in mice at dose of 424 mg/kg expressed as mean surviaval time (MST) or cures T - toxic death	ChEMBL.	7381860
Delta MST (functional)	= 1 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 13.3 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 1 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 13.3 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 2.2 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 26.5 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 2.2 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 26.5 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 2.4 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 53 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 2.4 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 53 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 5.2 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 106 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 5.2 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 106 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 6.8 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 212 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860
Delta MST (functional)	= 6.8 day	Tested for antitrypanosomal activity against trypanosoma rhodesiense in mice at dose of 212 mg/kg expressed as mean surviaval time (MST) or cures	ChEMBL.	7381860

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: CHEMBL347879

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 265549