TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.416 | Formula: C23H19N3O2
H donors: 2 H acceptors: 2 LogP: 4.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1ccc2c(c1)ncc(c2Nc1ccccc1)C(=O)N
InChi: 1S/C23H19N3O2/c1-28-18-10-7-15(8-11-18)16-9-12-19-21(13-16)25-14-20(23(24)27)22(19)26-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,27)(H,25,26)
InChiKey: FUKCDGACXJGKBQ-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	colony stimulating factor 1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	Get druggable targets OG5_132967	All targets in OG5_132967

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
Loa Loa (eye worm)	TK/ROR protein kinase	0.0019	0.0026	0.005
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0019	0.0025	0.0025
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0043	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0051	0.0098
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0043	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0043	0.0081
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0026	0.005
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0043	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0043	1
Echinococcus granulosus	geminin	0.0185	0.3466	0.3466
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0043	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0043	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0043	0.0081
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0043	0.5
Toxoplasma gondii	exonuclease III APE	0.0019	0.0043	1
Echinococcus multilocularis	geminin	0.0185	0.3466	1
Loa Loa (eye worm)	hypothetical protein	0.0273	0.5277	1
Schistosoma mansoni	hypothetical protein	0.0185	0.3466	1
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0273	0.5277	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0043	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0043	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0051	0.0098
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0043	0.0123
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0043	1
Onchocerca volvulus		0.0017	0	0.5
Schistosoma mansoni	hypothetical protein	0.0185	0.3466	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0043	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0025	0.0048
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0043	0.5
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0025	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0025	0.0048
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0273	0.5277	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0043	0.0123
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0043	0.0043
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0273	0.5277	1
Echinococcus granulosus	roundabout 2	0.0019	0.0025	0.0025
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0043	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0025	0.0048
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0043	0.5
Echinococcus multilocularis	roundabout 2	0.0019	0.0025	0.0072

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.025 uM	Inhibition of cfms	ChEMBL.	17870531
IC50 (binding)	= 0.025 uM	Inhibition of cfms	ChEMBL.	17870531
IC50 (functional)	= 6.3 uM	Growth inhibition of MCSF expressing mouse M-NSF60 cells	ChEMBL.	17870531
IC50 (functional)	= 8 uM	Growth inhibition of MCSF-independent mouse NSO cells	ChEMBL.	17870531
IC50 (functional)	= 8 uM	Growth inhibition of MCSF-independent mouse NSO cells	ChEMBL.	17870531

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	17870531

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: CHEMBL251174

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 500558