TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.33 | Formula: C21H21Cl2N5O
H donors: 2 H acceptors: 2 LogP: 4.35 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1ccc2c(c1)c(Nc1ccc(cc1Cl)Cl)c(cn2)C(=O)N
InChi: 1S/C21H21Cl2N5O/c1-27-6-8-28(9-7-27)14-3-5-18-15(11-14)20(16(12-25-18)21(24)29)26-19-4-2-13(22)10-17(19)23/h2-5,10-12H,6-9H2,1H3,(H2,24,29)(H,25,26)
InChiKey: FOCCIZUKXRUVPC-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
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0997	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0441	0.2144
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0505	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.3307	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.189	0.19
Loa Loa (eye worm)	hypothetical protein	0.0499	0.9947	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0997	0.2994
Echinococcus granulosus	intermediate filament protein	0.0027	0.0299	0.0289
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0997	0.2955
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0505	0.1454
Echinococcus granulosus	roundabout 2	0.0019	0.0122	0.0112
Echinococcus granulosus	Immunoglobulin	0.0014	0.0028	0.0018
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.004	0.006
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0122	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0441	0.0444
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0505	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.1627	0.1618
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0505	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.3307	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0505	0.1501
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0997	0.0988
Echinococcus granulosus	lamin dm0	0.0027	0.0299	0.0289
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0997	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.001	0.001
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0148	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1954	0.1965
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0997	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0441	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0122	0.0123
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.1627	0.1618
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0148	0.0149
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.1954	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0997	1
Echinococcus granulosus	twitchin	0.0014	0.0028	0.0018
Schistosoma mansoni	hypothetical protein	0.0034	0.0441	0.1259
Loa Loa (eye worm)	inositol-1	0.0037	0.0505	0.0508
Echinococcus multilocularis	lamin dm0	0.0027	0.0299	0.0876
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0299	0.0301
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0014	0.0028	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0299	0.0301
Schistosoma mansoni	hypothetical protein	0.0034	0.0441	0.1259
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0505	0.1454
Brugia malayi	Phospholipase A2 family protein	0.0105	0.189	0.9664
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.1627	0.1636
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.1254	0.6364
Echinococcus multilocularis	geminin	0.0174	0.3307	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1254	0.1261
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0505	0.5
Echinococcus multilocularis	neuroglian	0.0014	0.0028	0.0055
Echinococcus multilocularis	lamin	0.0027	0.0299	0.0876
Brugia malayi	Inositol-1	0.0037	0.0505	0.2476
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.004	0.004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.1954	0.1965
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0441	0.2144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.1627	0.4876
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0505	0.0495
Echinococcus multilocularis	Immunoglobulin	0.0014	0.0028	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0122	0.0123
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0997	0.2955
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0289	0.029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.1627	0.4876
Echinococcus multilocularis	Immunoglobulin	0.0014	0.0028	0.0055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.1627	0.4876
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0122	0.0123
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0441	0.1307
Echinococcus granulosus	defective proboscis extension response	0.0014	0.0028	0.0018
Schistosoma mansoni	hypothetical protein	0.0074	0.1254	0.3738
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.1627	0.4904
Schistosoma mansoni	hypothetical protein	0.0034	0.0441	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0299	0.1405
Echinococcus granulosus	neuroglian	0.0014	0.0028	0.0018
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0299	0.0301
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0505	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.1954	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.1627	0.8301
Brugia malayi	intermediate filament protein	0.0027	0.0299	0.1405
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0505	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0019	0.0122	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0441	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029
Echinococcus granulosus	geminin	0.0174	0.3307	0.33
Schistosoma mansoni	hypothetical protein	0.0034	0.0441	0.1259
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0441	0.0431
Onchocerca volvulus	Phospholipase A2 homolog	0.0499	0.9947	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0441	0.1307
Echinococcus multilocularis	roundabout 2	0.0019	0.0122	0.0339
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0299	0.0825
Echinococcus granulosus	lamin	0.0027	0.0299	0.0289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.1627	0.4904
Echinococcus multilocularis	musashi	0.0027	0.0299	0.0876
Schistosoma mansoni	lamin	0.0027	0.0299	0.0825
Echinococcus granulosus	GPCR family 2	0.0034	0.0441	0.0431
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0505	0.5
Schistosoma mansoni	lamin	0.0027	0.0299	0.0825
Onchocerca volvulus	Phospholipase A2 homolog	0.0105	0.189	0.1649
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0997	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0505	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0997	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0441	0.1307
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0425	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0029

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 8.9 uM	Antiproliferative activity against mouse 3T3 cells expressing human CSF1R after 72 hrs by Celltiter assay	ChEMBL.	19114305
IC50 (binding)	= 0.129 uM	Inhibition of CSF1R	ChEMBL.	19114305

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: CHEMBL521407

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 1019923