TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 460.356 | Formula: C22H23Cl2N5O2
H donors: 2 H acceptors: 2 LogP: 4.32 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1Cl)Cl)C(=O)N
InChi: 1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
InChiKey: UWMKTPGQKQFRHE-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)	hypothetical protein	0.0377	0.5159	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0478	0.0926
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.0748	1
Schistosoma mansoni	hypothetical protein	0.0133	0.1676	0.1676
Brugia malayi	Pre-SET motif family protein	0.0029	0.0183	0.0355
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0712	0.0712
Loa Loa (eye worm)	MH2 domain-containing protein	0.0237	0.3158	0.612
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0712	0.0712
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.0748	1
Onchocerca volvulus		0.0049	0.0478	0.0593
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0062	0.0654	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0377	0.5159	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0183	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0195	0.2557	0.4952
Schistosoma mansoni	Smad4	0.0016	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1676	0.3244
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0003	0.0003
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0256	0.1784
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0	0.5
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0003
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0429	0.0429
Brugia malayi	Galactoside-binding lectin family protein	0.0377	0.5159	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0183	0.0183
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0313	0.1033
Trypanosoma brucei	trypanothione reductase	0.0046	0.0429	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0019	0.0039	0.0039
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0452	0.0452
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0003	0.0003
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.02	0.2633	0.5099
Echinococcus multilocularis	neuropeptide s receptor	0.052	0.7202	0.7202
Brugia malayi	latrophilin 2 splice variant baaae	0.0133	0.1676	0.3248
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0062	0.0654	0.1261
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0183	0.0183
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0429	1
Loa Loa (eye worm)	inositol-1	0.0038	0.0313	0.06
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0195	0.2557	0.4955
Loa Loa (eye worm)	hypothetical protein	0.0377	0.5159	1
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0429	1
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0039	0.0039
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.1436	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0039	0.0069
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0003	0.0003
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.323	0.323
Brugia malayi	Smad1	0.0016	0.0003	0.0007
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0712	0.0712
Brugia malayi	Latrophilin receptor protein 2	0.0062	0.0654	0.1267
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0748	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0654	0.1261
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0062	0.0654	0.0654
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0039	0.0069
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.1269	0.8837
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0712	0.0712
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.323	0.323
Mycobacterium tuberculosis	Probable reductase	0.0105	0.1269	0.8837
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0712	0.1373
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0712	0.0712
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0313	0.0313
Brugia malayi	MH1 domain containing protein	0.0016	0.0003	0.0007
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.1436	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0313	0.1033
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0313	0.0313
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0501	0.6939	0.6939
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0183	0.2444
Echinococcus multilocularis	smad	0.0016	0.0003	0.0003
Brugia malayi	Galactoside-binding lectin family protein	0.0377	0.5159	1
Treponema pallidum	NADH oxidase	0.0016	0	0.5
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0429	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0748	1
Trichomonas vaginalis	set domain proteins, putative	0.0228	0.3028	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0313	0.7295
Loa Loa (eye worm)	hypothetical protein	0.0242	0.323	0.6258
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0377	0.5159	1
Onchocerca volvulus		0.0048	0.0452	0.0541
Brugia malayi	Galactoside-binding lectin family protein	0.0377	0.5159	1
Brugia malayi	MH2 domain containing protein	0.0016	0.0003	0.0007
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0478	0.0478
Brugia malayi	Inositol-1	0.0038	0.0313	0.0606
Schistosoma mansoni	microtubule-associated protein tau	0.0715	1	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0313	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0748	0.0748
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0313	0.1033
Onchocerca volvulus		0.0228	0.3028	0.5717
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0057	0.0104
Plasmodium vivax	SET domain protein, putative	0.0029	0.0183	0.4268
Brugia malayi	hypothetical protein	0.0242	0.323	0.626
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0062	0.0654	0.0654
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.1436	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.1269	0.8837
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0313	0.0313
Echinococcus multilocularis	Smad4	0.0016	0.0003	0.0003
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0168	0.0168
Plasmodium falciparum	glutathione reductase	0.0046	0.0429	1
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0429	0.5728
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.1269	0.8837
Onchocerca volvulus	Galectin homolog	0.0377	0.5159	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0057	0.0111
Echinococcus multilocularis	neuropeptide receptor A26	0.052	0.7202	0.7202
Echinococcus granulosus	roundabout 2	0.0019	0.0039	0.0039
Brugia malayi	Pre-SET motif family protein	0.02	0.2633	0.5103
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0313	0.4178
Echinococcus granulosus	tumor protein p63	0.0325	0.4416	0.4416
Echinococcus granulosus	Smad4	0.0016	0.0003	0.0003
Brugia malayi	Thioredoxin reductase	0.0046	0.0429	0.0831
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0429	0.0429
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.0748	0.5212
Leishmania major	trypanothione reductase	0.0046	0.0429	0.5728
Schistosoma mansoni	hypothetical protein	0.0035	0.0267	0.0267
Schistosoma mansoni	galectin	0.0377	0.5159	0.5159
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0003	0.0003
Echinococcus multilocularis	GPCR, family 2	0.0062	0.0654	0.0654
Brugia malayi	galectin	0.0377	0.5159	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0712	0.1379
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.1269	0.8585
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0183	0.0183
Echinococcus granulosus	neuropeptide s receptor	0.052	0.7202	0.7202
Echinococcus granulosus	neuropeptide receptor A26	0.052	0.7202	0.7202
Brugia malayi	TAR-binding protein	0.0066	0.0712	0.1379
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0062	0.0654	0.0654
Loa Loa (eye worm)	galectin	0.0377	0.5159	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.0748	0.0748
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0377	0.5159	1
Echinococcus granulosus	Galectin carbohydrate recognition domain	0.0377	0.5159	0.5159
Echinococcus multilocularis	roundabout 2	0.0019	0.0039	0.0039
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0195	0.2557	0.4955
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0748	0.0748
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0712	0.1373
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.1436	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0267	0.0267
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0062	0.0654	0.0654
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0267	0.0267
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0062	0.0654	0.1267
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0183	0.0183
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0183	0.0183
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0429	1
Schistosoma mansoni	hypothetical protein	0.0062	0.0654	0.0654
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0429	0.2985
Loa Loa (eye worm)	galectin	0.0377	0.5159	1
Brugia malayi	RNA binding protein	0.0066	0.0712	0.1379
Brugia malayi	hypothetical protein	0.0035	0.0267	0.0518
Loa Loa (eye worm)	transcription factor SMAD2	0.0237	0.3158	0.612
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0712	0.0712
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0003	0.0003
Echinococcus granulosus	GPCR family 2	0.0062	0.0654	0.0654
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0195	0.2557	0.4952
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0712	0.1373
Schistosoma mansoni	smad	0.0016	0.0003	0.0003
Brugia malayi	MH2 domain containing protein	0.0016	0.0003	0.0007
Schistosoma mansoni	hypothetical protein	0.0062	0.0654	0.0654
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0748	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0267	0.0267
Echinococcus granulosus	smad	0.0016	0.0003	0.0003
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0183	0.0183
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.1269	0.8837
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0313	0.7295
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0377	0.5159	1
Brugia malayi	glutathione reductase	0.0046	0.0429	0.0831
Echinococcus multilocularis	tumor protein p63	0.0325	0.4416	0.4416
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0313	0.7295
Echinococcus multilocularis	microtubule associated protein 2	0.0715	1	1
Onchocerca volvulus	Galectin homolog	0.0377	0.5159	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0429	0.0825
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0313	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0452	0.0871
Brugia malayi	galectin	0.0377	0.5159	1
Schistosoma mansoni	hypothetical protein	0.0062	0.0654	0.0654
Brugia malayi	MH2 domain containing protein	0.0237	0.3158	0.6122
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0429	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0039	0.0069
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0313	0.4178
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0183	0.0348
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.1269	0.8837
Echinococcus multilocularis	Galectin, carbohydrate recognition domain	0.0377	0.5159	0.5159
Schistosoma mansoni	hypothetical protein	0.0049	0.0478	0.0478
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.0748	0.0748
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0712	0.0712
Brugia malayi	Galactoside-binding lectin family protein	0.0377	0.5159	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0003	0.0007
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0313	0.4178

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0.64 uM	Antiproliferative activity against mouse 3T3 cells expressing human CSF1R after 72 hrs by Celltiter assay	ChEMBL.	19114305
IC50 (binding)	= 0.003 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: CHEMBL481223

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 986330