TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 433.546 | Formula: C25H31N5O2
H donors: 2 H acceptors: 3 LogP: 3.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCC(CC1)(C)C)CCN1CCOCC1
InChi: 1S/C25H31N5O2/c1-25(2)8-5-19(6-9-25)21-15-18(7-10-30-11-13-32-14-12-30)3-4-22(21)29-24(31)23-27-17-20(16-26)28-23/h3-5,15,17H,6-14H2,1-2H3,(H,27,28)(H,29,31)
InChiKey: KVTCLWZZBAIUNQ-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	v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog	Starlite/ChEMBL	References
Homo sapiens	colony stimulating factor 1 receptor	Starlite/ChEMBL	References
Mus musculus	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	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.001	0.0007	0.0008
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Brugia malayi	G-protein coupled receptor	0.001	0.0007	0.0008
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0007	0.0014
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0143	0.0137
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.001	0.0007	0.0008
Brugia malayi	ORL1-like opioid receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1013	0.1176
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.001	0.0007	0.0008
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0007	0.0014
Onchocerca volvulus		0.0509	0.2731	0.6037
Brugia malayi	Smad1	0.0017	0.0041	0.0047
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0836	0.452	0.5
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0041	0.009
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	RE15519p	0.001	0.0007	0.0008
Echinococcus granulosus	Smad4	0.0017	0.0041	0.0034
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Echinococcus multilocularis	smad	0.0017	0.0041	0.0076
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0836	0.452	0.5
Brugia malayi	MH1 domain containing protein	0.0017	0.0041	0.0047
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0051	0.0231	0.0497
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0041	0.009
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	biogenic amine receptor	0.001	0.0007	0.0014
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0836	0.452	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Echinococcus granulosus	roundabout 2	0.0056	0.0256	0.025
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0041	0.0076
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	G-protein coupled receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0836	0.452	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.001	0.0007	0.0008
Brugia malayi	AKH receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0061	0.0282	0.0327
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0041	0.009
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0051	0.0231	0.0511
Schistosoma mansoni	hypothetical protein	0.001	0.0007	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Echinococcus granulosus	smad	0.0017	0.0041	0.0034
Schistosoma mansoni	amine GPCR	0.0388	0.2071	0.4581
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.001	0.0007	0.0008
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0143	0.0303
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0056	0.0256	0.025
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0041	0.0047
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	putative neuropeptide receptor NPR1	0.001	0.0007	0.0008
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0041	0.0047
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Schistosoma mansoni	neuropeptide receptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.001	0.0007	0.0008
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0836	0.452	0.525
Echinococcus granulosus	lysosomal protective protein	0.0836	0.452	0.4516
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.0007	0.0014
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.001	0.0007	0.0008
Schistosoma mansoni	vesicular amine transporter	0.0051	0.0231	0.0511
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.0007	0.0014
Schistosoma mansoni	myosin xvIII	0.001	0.0007	0.0014
Schistosoma mansoni	smad	0.0017	0.0041	0.009
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0007	0.0008
Schistosoma mansoni	neuropeptide receptor	0.001	0.0007	0.0014
Onchocerca volvulus		0.0194	0.1013	0.2229
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Entamoeba histolytica	hypothetical protein	0.0035	0.0143	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Schistosoma mansoni	amine GPCR	0.001	0.0007	0.0014
Schistosoma mansoni	biogenic amine receptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0051	0.0231	0.0511
Brugia malayi	Dopamine receptor protein 2	0.001	0.0007	0.0008
Brugia malayi	hypothetical protein	0.0035	0.0143	0.0166
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0836	0.452	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	G protein-coupled receptor F59B2.13	0.001	0.0007	0.0008
Brugia malayi	Serotonin receptor	0.001	0.0007	0.0008
Brugia malayi	MH2 domain containing protein	0.0245	0.1289	0.1497
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Echinococcus multilocularis	Smad4	0.0017	0.0041	0.0076
Brugia malayi	neuropeptide F receptor	0.001	0.0007	0.0008
Brugia malayi	Tachykinin-like peptides receptor 99D	0.001	0.0007	0.0008
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0083	0.0401	0.0887
Schistosoma mansoni	hypothetical protein	0.0035	0.0143	0.0317
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	adenoreceptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	melatonin receptor type 1A	0.001	0.0007	0.0008
Brugia malayi	neuropeptide F receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Entamoeba histolytica	hypothetical protein	0.0035	0.0143	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	amine GPCR	0.001	0.0007	0.0014
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.0007	0.0014
Loa Loa (eye worm)	neuropeptide F receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	transcription factor SMAD2	0.0245	0.1289	0.1497
Brugia malayi	larval opioid receptor	0.001	0.0007	0.0008
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0041	0.0034
Echinococcus multilocularis	roundabout 2	0.0056	0.0256	0.0553
Loa Loa (eye worm)	Smad1	0.0017	0.0041	0.0047
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	putative neuropeptide receptor	0.001	0.0007	0.0008
Entamoeba histolytica	hypothetical protein	0.0035	0.0143	0.5
Schistosoma mansoni	hypothetical protein	0.001	0.0007	0.0014
Schistosoma mansoni	neuropeptide receptor	0.001	0.0007	0.0014
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0143	0.0317
Schistosoma mansoni	hypothetical protein	0.001	0.0007	0.0014
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0041	0.009
Brugia malayi	GnHR receptor homolog	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	opsin-like receptor	0.001	0.0007	0.0014
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	hypothetical protein	0.0149	0.0763	0.0887
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Echinococcus multilocularis	lysosomal protective protein	0.0836	0.452	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.0007	0.0014
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	Fibronectin type III domain containing protein	0.0051	0.0231	0.0268
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0007	0.0014
Echinococcus granulosus	Immunoglobulin	0.0051	0.0231	0.0225
Echinococcus multilocularis	Immunoglobulin	0.0051	0.0231	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Echinococcus granulosus	neuroglian	0.0051	0.0231	0.0225
Echinococcus granulosus	twitchin	0.0053	0.0237	0.0231
Entamoeba histolytica	hypothetical protein	0.0035	0.0143	0.5
Onchocerca volvulus		0.051	0.2737	0.605
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0007	0.0014
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0753	0.4068	0.8999
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0007	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Schistosoma mansoni	cell adhesion molecule	0.0056	0.0256	0.0566
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0051	0.0231	0.0268
Brugia malayi	Protein kinase domain containing protein	0.1584	0.861	1
Brugia malayi	G protein-coupled receptor	0.001	0.0007	0.0008
Echinococcus granulosus	defective proboscis extension response	0.0051	0.0231	0.0225
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.0007	0.0014
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0061	0.0282	0.0327
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	serine/threonine protein kinase	0.051	0.2737	0.6056
Schistosoma mansoni	opsin-like receptor	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0256	0.0298
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0587	0.3157	0.3152
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0587	0.3157	0.698
Brugia malayi	MH2 domain containing protein	0.0017	0.0041	0.0047
Brugia malayi	Dopamine receptor protein 1	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0268
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0041	0.0034
Schistosoma mansoni	hypothetical protein	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0836	0.452	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.0007	0.0014
Loa Loa (eye worm)	MH2 domain-containing protein	0.0245	0.1289	0.1497
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0007	0.0014
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0753	0.4068	0.4064
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0007	0.0014
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	nephrin	0.0051	0.0231	0.0511
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0007	0.0014
Echinococcus multilocularis	rho associated protein kinase	0.051	0.2737	0.605
Brugia malayi	sulfakinin receptor protein	0.001	0.0007	0.0008
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0041	0.0076
Schistosoma mansoni	neuropeptide receptor	0.001	0.0007	0.0014
Brugia malayi	follicle stimulating hormone receptor	0.001	0.0007	0.0008
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0007	0.0014
Schistosoma mansoni	histamine h1 receptor	0.001	0.0007	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Brugia malayi	Serotonin receptor	0.001	0.0007	0.0008
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.0007	0.0014
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.001	0.0007	0.0008
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.1584	0.861	1
Loa Loa (eye worm)	hypothetical protein	0.0836	0.452	0.525
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0836	0.452	1
Schistosoma mansoni	opsin-like receptor	0.001	0.0007	0.0014
Echinococcus multilocularis	Immunoglobulin	0.0051	0.0231	0.0497
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.001	0.0007	0.0008
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0007	0.0014
Brugia malayi	Melatonin receptor type 1A	0.001	0.0007	0.0008
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Loa Loa (eye worm)	G-protein coupled receptor	0.001	0.0007	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0836	0.452	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.0007	0.0014
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.0007	0.0014
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0836	0.452	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0256	0.0298
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0836	0.452	1
Onchocerca volvulus		0.0149	0.0763	0.1676
Brugia malayi	MH1 domain containing protein	0.0017	0.0041	0.0047
Brugia malayi	hypothetical protein	0.001	0.0007	0.0008
Echinococcus multilocularis	neuroglian	0.0051	0.0231	0.0497
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0008
Schistosoma mansoni	biogenic amine receptor	0.001	0.0007	0.0014
Brugia malayi	hypothetical protein	0.0051	0.0231	0.0268
Brugia malayi	Dopamine receptor	0.001	0.0007	0.0008
Brugia malayi	MH2 domain containing protein	0.0017	0.0041	0.0047
Brugia malayi	solute carrier family 40, member 1	0.0194	0.1013	0.1176
Schistosoma mansoni	amine GPCR	0.001	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0763	0.0887
Echinococcus granulosus	rho-associated protein kinase 1	0.051	0.2737	0.2732
Schistosoma mansoni	Smad4	0.0017	0.0041	0.009
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0836	0.452	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0256	0.0298

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.8 nM	Inhibition of FMS (unknown origin)	ChEMBL.	24138939
IC50 (binding)	= 0.8 nM	BindingDB_Patents: Fluorescence Polarization Competition Assay. A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-1R555-568 peptide (SYEGNSYTFIDPTQ). The assay was performed in black 96-well microplates (Cat #42-000-0117, Molecular Devices, Sunnyvale, Calif.). To each well, 5 µL of compound (in 4% DMSO) were mixed with 2 µL of 3.5 nM CSF-1R, 25 mM MgCl2 in assay buffer (100 mM HEPES (hydroxyethylpiperazineethylsodiumsulfonate), pH 7.5, 1 mM DTT (dithiothreitol), 0.01% Tween-20), and 2 µL of 1540 µM peptide in assay buffer. The kinase reaction was initiated by adding 1 µL of 10 mM ATP in assay buffer. The final concentrations in the 10 uL reaction mixture were 100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20, 2% DMSO, 308 µM SYEGNSYTFIDPTQ, 1 mM ATP, 5 mM MgCl2, and 0.7 nM CSF-1R.	ChEMBL.	No reference
IC50 (binding)	= 0.8 nM	Fluorescence Polarization Competition Immunoassay	BINDINGDB.	No reference
IC50 (binding)	= 0.8 nM	BindingDB_Patents: Fluorescence Polarization Competition Assay. A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-1R555-568 peptide (SYEGNSYTFIDPTQ). The assay was performed in black 96-well microplates (Cat #42-000-0117, Molecular Devices, Sunnyvale, Calif.). To each well, 5 µL of compound (in 4% DMSO) were mixed with 2 µL of 3.5 nM CSF-1R, 25 mM MgCl2 in assay buffer (100 mM HEPES (hydroxyethylpiperazineethylsodiumsulfonate), pH 7.5, 1 mM DTT (dithiothreitol), 0.01% Tween-20), and 2 µL of 1540 µM peptide in assay buffer. The kinase reaction was initiated by adding 1 µL of 10 mM ATP in assay buffer. The final concentrations in the 10 uL reaction mixture were 100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20, 2% DMSO, 308 µM SYEGNSYTFIDPTQ, 1 mM ATP, 5 mM MgCl2, and 0.7 nM CSF-1R.	ChEMBL.	No reference
IC50 (binding)	= 2.6 nM	Inhibition of FMS in mouse BMDM cells	ChEMBL.	24138939
IC50 (binding)	= 300 nM	Inhibition of KIT in human Mo7e cells assessed as inhibition of SCF-dependent cell proliferation	ChEMBL.	24138939
Stabilty (ADMET)	= 66 %	Metabolic stability in human liver microsomes assessed as compound remaining after 10 mins	ChEMBL.	24138939

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.

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External resources for this compound

ChEMBL: CHEMBL3085978

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1840075