TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 551.037 | Formula: C28H31ClN6O4
H donors: 5 H acceptors: 4 LogP: 3.38 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)NC1CCN(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(NC[C@H](c2cccc(c2)Cl)O)cc[nH]c1=O
InChi: 1S/C28H31ClN6O4/c1-16-12-20(35-10-7-19(8-11-35)32-28(38)39-2)14-22-25(16)34-26(33-22)24-21(6-9-30-27(24)37)31-15-23(36)17-4-3-5-18(29)13-17/h3-6,9,12-14,19,23,36H,7-8,10-11,15H2,1-2H3,(H,32,38)(H,33,34)(H2,30,31,37)/t23-/m1/s1
InChiKey: VZGOJYYBQQYRJE-HSZRJFAPSA-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	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	insulin-like growth factor 1 receptor	Starlite/ChEMBL	References
Mus musculus	insulin-like growth factor I receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K04527 insulin receptor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	TK/INSR protein kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative	Get druggable targets OG5_129857	All targets in OG5_129857

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Schistosoma mansoni	DNA polymerase IV / kappa	0.0035	0.0265	0.0357
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0686	0.8771	1
Schistosoma mansoni	myst-related protein	0.0029	0.018	0.0227
Schistosoma mansoni	tyrosine kinase	0.0144	0.1686	0.2531
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1662	0.446
Schistosoma mansoni	DNA polymerase eta	0.0163	0.1942	0.2922
Trypanosoma brucei	unspecified product	0.0078	0.0826	0.2216
Giardia lamblia	DNA damage repair protein	0.0035	0.0265	0.1369
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0345	0.0508
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.009	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0178	0.0202
Schistosoma mansoni	tyrosine kinase	0.0316	0.3939	0.5978
Brugia malayi	FYVE finger-containing phosphoinositide kinase, putative	0.0028	0.0173	0.0197
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.3726	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0036
Trypanosoma cruzi	DNA damage repair protein, putative	0.0035	0.0265	0.0712
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.009	0.0102
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0038	0.001
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0178	0.0479
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0057	0.0555	0.0631
Leishmania major	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0028	0.0173	0.0465
Trichomonas vaginalis	DNA helicase recq1, putative	0.0028	0.0168	0.0168
Trypanosoma cruzi	DNA polymerase eta, putative	0.0085	0.0923	0.2477
Onchocerca volvulus		0.035	0.4373	0.4315
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0301	0.234
Brugia malayi	SET domain containing protein	0.0023	0.0103	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1152	0.1312
Leishmania major	mitochondrial DNA polymerase beta	0.03	0.3726	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.012	0.137	0.3676
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.009	0.0242
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.009	0.0702
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0242	0.2972	0.3388
Brugia malayi	MH2 domain containing protein	0.0018	0.0038	0.0043
Schistosoma mansoni	tyrosine kinase	0.0141	0.1653	0.248
Leishmania major	phosphatidylinositol-4-phosphate 5-kinase-like protein	0.0028	0.0173	0.0465
Loa Loa (eye worm)	FYVE finger-containing phosphoinositide kinase	0.0028	0.0173	0.0197
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.1587	0.3582
Entamoeba histolytica	hypothetical protein	0.0029	0.018	0.1403
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.1662	0.446
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1942	0.2213
Brugia malayi	ImpB/MucB/SamB family protein	0.0163	0.1942	0.2213
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.035	0.4373	0.6643
Plasmodium vivax	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.1108
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0028	0.0173	0.0214
Leishmania major	DNA polymerase kappa, putative	0.0035	0.0265	0.0712
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0038	0.001
Brugia malayi	Pip kinase protein 2	0.035	0.4373	0.4986
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1628	0.1855
Loa Loa (eye worm)	Smad1	0.0018	0.0038	0.0043
Schistosoma mansoni	survival motor neuron protein	0.0057	0.0555	0.0799
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0609	0.1635
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.032	0.0663
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0178	0.0222
Trypanosoma brucei	unspecified product	0.0078	0.0826	0.2216
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.009	0.0353
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0345	0.2673
Schistosoma mansoni	SET domain protein	0.0023	0.0103	0.0109
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0079	0.0833	0.1845
Brugia malayi	hypothetical protein	0.0134	0.1555	0.1772
Plasmodium falciparum	DNA repair protein REV1, putative	0.0035	0.0265	0.8327
Brugia malayi	MH2 domain containing protein	0.0018	0.0038	0.0043
Brugia malayi	Pre-SET motif family protein	0.0103	0.1152	0.1312
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1555	0.1466
Plasmodium vivax	DNA repair protein REV1, putative	0.0035	0.0265	0.1945
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0173	0.1108
Trypanosoma brucei	DNA polymerase IV, putative	0.0139	0.1628	0.437
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0113	0.1284	1
Trypanosoma brucei	phosphatidylinositol phosphate kinase alpha	0.0028	0.0173	0.0465
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0103	0.1152	0.1713
Trypanosoma cruzi	ISWI complex protein	0.0025	0.0139	0.0373
Mycobacterium ulcerans	DNA polymerase IV	0.0139	0.1628	0.8702
Onchocerca volvulus		0.0146	0.1716	0.163
Trichomonas vaginalis	helicase, putative	0.0055	0.0524	0.0524
Echinococcus granulosus	epidermal growth factor receptor	0.0144	0.1686	0.3811
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0038	0.0015
Trypanosoma brucei	DNA polymerase IV, putative	0.0133	0.1543	0.4141
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0178	0.4193
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.03	0.3726	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.032	0.0663
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Leishmania major	hypothetical protein, conserved	0.0028	0.0178	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1716	0.1956
Trypanosoma brucei	chrX additional, unordered contigs	0.0035	0.0265	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0609	0.0694
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.009	0.0102
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Entamoeba histolytica	phosphoinositide kinase, putative	0.0028	0.0173	0.1349
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0028	0.0173	0.0216
Trypanosoma cruzi	phosphatidylinositol 4-phosphate 5-kinase alpha, putative	0.0028	0.0173	0.0465
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0001	0.0002
Brugia malayi	MH2 domain containing protein	0.026	0.3207	0.3656
Entamoeba histolytica	hypothetical protein	0.0039	0.032	0.2492
Entamoeba histolytica	hypothetical protein	0.0039	0.032	0.2492
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.009	0.009
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0265	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2059	0.2347
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.035	0.4373	1
Schistosoma mansoni	hypothetical protein	0.0039	0.032	0.0441
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Brugia malayi	Protein kinase domain containing protein	0.0316	0.3939	0.449
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0466	0.5895	1
Leishmania major	DNA damage repair protein, putative	0.0035	0.0265	0.0712
Onchocerca volvulus		0.0103	0.1152	0.1059
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0064	0.064	0.14
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-kinase	0.0028	0.0173	0.0214
Schistosoma mansoni	tyrosine kinase	0.0144	0.1686	0.2531
Echinococcus granulosus	Phosphatidylinositol 4 phosphate 5 kinase type 1	0.0028	0.0173	0.0325
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Echinococcus granulosus	phosphatidylinositol phosphate 5 kinase type III	0.0028	0.0173	0.0325
Loa Loa (eye worm)	TK/INSR protein kinase	0.0316	0.3939	0.449
Brugia malayi	Protein kinase domain containing protein	0.0175	0.2093	0.2385
Echinococcus multilocularis	bloom syndrome protein	0.0028	0.0168	0.0314
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.009	0.0134
Onchocerca volvulus		0.0057	0.0555	0.0456
Schistosoma mansoni	tyrosine kinase	0.0141	0.1653	0.248
Echinococcus granulosus	epidermal growth factor receptor	0.0144	0.1686	0.3811
Trypanosoma brucei	unspecified product	0.0133	0.1543	0.4141
Brugia malayi	Pip kinase protein 1	0.0028	0.0173	0.0197
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1555	0.1466
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0024	0.0125	0.1635
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Toxoplasma gondii	exonuclease III APE	0.0022	0.009	0.0071
Schistosoma mansoni	tyrosine kinase	0.0141	0.1653	0.248
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.009	0.5
Brugia malayi	Bromodomain containing protein	0.0017	0.0032	0.0036
Brugia malayi	hypothetical protein	0.0039	0.032	0.0364
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0064	0.064	0.14
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0113	0.1284	0.1464
Brugia malayi	Smad1	0.0018	0.0038	0.0043
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0028	0.0173	0.0465
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0265	0.0712
Brugia malayi	Furin-like cysteine rich region family protein	0.0144	0.1686	0.1922
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0085	0.0923	0.1496
Echinococcus multilocularis	phosphatidylinositol phosphate 5 kinase type III	0.0028	0.0173	0.0325
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.0911	0.2445
Brugia malayi	hypothetical protein	0.0018	0.0047	0.0052
Loa Loa (eye worm)	pip kinase 1	0.0028	0.0173	0.0197
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0358	0.096
Brugia malayi	CXXC zinc finger family protein	0.0242	0.2972	0.3388
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Giardia lamblia	Phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.065
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0038	0.001
Schistosoma mansoni	smad	0.0018	0.0038	0.001
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0113	0.1284	0.2885
Loa Loa (eye worm)	RecQ helicase	0.0028	0.0168	0.0191
Trypanosoma brucei	DNA polymerase eta, putative	0.0163	0.1942	0.5211
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0113	0.1284	0.6705
Brugia malayi	Bloom's syndrome protein homolog	0.0028	0.0168	0.0191
Schistosoma mansoni	cpg binding protein	0.0242	0.2972	0.4498
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0103	0.1152	0.1713
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.009	0.0242
Loa Loa (eye worm)	pip kinase 2	0.035	0.4373	0.4986
Echinococcus multilocularis	insulin receptor	0.0316	0.3939	0.8999
Entamoeba histolytica	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.1349
Brugia malayi	hypothetical protein	0.0146	0.1716	0.1956
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0064	0.064	0.14
Leishmania major	DNA polymerase eta, putative	0.0163	0.1942	0.5211
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0139	0.0139
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Schistosoma mansoni	Smad4	0.0018	0.0038	0.001
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0265	0.1414
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0042	0.0351	0.0517
Echinococcus granulosus	insulin receptor	0.0316	0.3939	0.8999
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1555	0.1772
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.0911	0.2445
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0064	0.064	0.14
Loa Loa (eye worm)	FYVE zinc finger family protein	0.0028	0.0173	0.0197
Toxoplasma gondii	phosphatidylinositol-4-phosphate 5-Kinase	0.0028	0.0173	0.0214
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Trypanosoma cruzi	DNA damage repair protein, putative	0.0035	0.0265	0.0712
Trichomonas vaginalis	phosphatidylinositol-4-phosphate 5-kinase type II, putative	0.0028	0.0173	0.0173
Brugia malayi	hypothetical protein	0.0281	0.3473	0.3959
Leishmania major	cytochrome p450-like protein	0.0015	0.0001	0.0002
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma cruzi	DNA polymerase eta, putative	0.0163	0.1942	0.5211
Brugia malayi	ImpB/MucB/SamB family protein	0.0113	0.1284	0.1464
Trichomonas vaginalis	phosphatidylinositol-4-phosphate 5-kinase type II, putative	0.0028	0.0173	0.0173
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.0265	0.0371
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.1871	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0265	0.0712
Schistosoma mansoni	hypothetical protein	0.0057	0.0555	0.0799
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Trypanosoma brucei	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.0465
Brugia malayi	PHD-finger family protein	0.0017	0.0032	0.0036
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0345	0.0345
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.035	0.4373	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.1639	0.37
Schistosoma mansoni	tyrosine kinase	0.0144	0.1686	0.2531
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0265	0.0712
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0028	0.0173	0.0216
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Echinococcus multilocularis	epidermal growth factor receptor	0.0144	0.1686	0.3811
Echinococcus granulosus	dna polymerase eta	0.0163	0.1942	0.4399
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Echinococcus multilocularis	Phosphatidylinositol 4 phosphate 5 kinase type 1	0.0028	0.0173	0.0325
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0517	0.6567	1
Trypanosoma brucei	DNA damage repair protein, putative	0.0035	0.0265	0.0712
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Schistosoma mansoni	ap endonuclease	0.0022	0.009	0.0089
Brugia malayi	hypothetical protein	0.0028	0.0178	0.0202
Giardia lamblia	Hypothetical protein	0.0028	0.0173	0.065
Echinococcus multilocularis	dna polymerase eta	0.0163	0.1942	0.4399
Brugia malayi	MH1 domain containing protein	0.0018	0.0038	0.0043
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0038	0.001
Loa Loa (eye worm)	MH2 domain-containing protein	0.026	0.3207	0.3656
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0103	0.1152	0.1713
Trypanosoma cruzi	phosphatidylinositol (3,5) kinase, putative	0.0028	0.0173	0.0465
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.064	0.093
Echinococcus multilocularis	dna polymerase kappa	0.0139	0.1628	0.3677
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0478	0.1284
Echinococcus multilocularis	epidermal growth factor receptor	0.0144	0.1686	0.3811
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0038	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Trypanosoma brucei	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.0465
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.0465
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.009	0.0478
Mycobacterium ulcerans	DNA polymerase IV	0.0139	0.1628	0.8702
Schistosoma mansoni	myst-related protein	0.0029	0.018	0.0227
Schistosoma mansoni	cpg binding protein	0.0256	0.3152	0.4775
Brugia malayi	F/Y-rich N-terminus family protein	0.0078	0.082	0.0935
Leishmania major	phosphatidylinositol-4-phosphate-5-kinase-likep ro tein	0.0028	0.0173	0.0465
Onchocerca volvulus		0.0242	0.2972	0.2899
Trypanosoma brucei	phosphatidylinositol (3,5) kinase, putative	0.0028	0.0173	0.0465
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0301	1
Brugia malayi	polk-prov protein	0.0061	0.0609	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1555	0.1772
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0139	0.1628	0.1628
Echinococcus multilocularis	Smad4	0.0018	0.0038	0.0015
Entamoeba histolytica	hypothetical protein	0.0039	0.032	0.2492
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.1639	0.1867
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.035	0.4373	0.6643
Echinococcus granulosus	survival motor neuron protein 1	0.0281	0.3473	0.7925
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.03	0.3726	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0029	0.0192	0.0192
Entamoeba histolytica	hypothetical protein	0.0039	0.032	0.2492
Loa Loa (eye worm)	histone methyltransferase	0.0079	0.0833	0.0949
Plasmodium falciparum	zinc finger protein, putative	0.0029	0.018	0.4279
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.1639	0.2458
Loa Loa (eye worm)	hypothetical protein	0.035	0.4373	0.4986
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0038	0.0308	0.0422
Mycobacterium ulcerans	hypothetical protein	0.0158	0.1871	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0316	0.3939	0.8999
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0038	0.0015
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0038	0.0043
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0345	0.0722
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0139	0.0139
Echinococcus granulosus	dna polymerase kappa	0.0139	0.1628	0.3677
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0113	0.1284	0.1916
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Echinococcus granulosus	smad	0.0018	0.0038	0.0015
Schistosoma mansoni	phosphatidylinositol-4-phosphate-5-kinaseputativ e	0.0028	0.0173	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0609	0.1635
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0038	0.0015
Echinococcus granulosus	bloom syndrome protein	0.0028	0.0168	0.0314
Echinococcus granulosus	histone lysine methyltransferase setb	0.0103	0.1152	0.2579
Echinococcus granulosus	cpg binding protein	0.0256	0.3152	0.7187
Schistosoma mansoni	cpg binding protein	0.0256	0.3152	0.4775
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase type II beta, putative	0.0028	0.0173	0.0465
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0192	0.0192
Leishmania major	DNA polymerase kappa, putative	0.012	0.137	0.3676
Schistosoma mansoni	blooms syndrome DNA helicase	0.0022	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0281	0.3473	0.3959
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0001	0.0002
Plasmodium vivax	SET domain protein, putative	0.0103	0.1152	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0103	0.1152	0.2579
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0103	0.1152	0.1713
Trichomonas vaginalis	DNA helicase recq, putative	0.0028	0.0168	0.0168
Trichomonas vaginalis	DNA polymerase eta, putative	0.0139	0.1628	0.1628
Trypanosoma brucei	DNA polymerase kappa, putative	0.0139	0.1628	0.437
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0144	0.1686	0.1922
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0178	0.1154
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0025	0.0139	0.0139
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0358	0.096
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0358	0.096
Echinococcus multilocularis		0.0041	0.0347	0.0725
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1662	0.446
Toxoplasma gondii	hypothetical protein	0.0048	0.0439	0.0668
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0524	0.0524
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0103	0.1152	0.1887
Brugia malayi	Pre-SET motif family protein	0.0686	0.8771	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0038	0.0043
Trypanosoma brucei	DNA polymerase IV, putative	0.0139	0.1628	0.437
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0358	0.096
Echinococcus multilocularis	survival motor neuron protein 1	0.0281	0.3473	0.7925
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.0465
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0345	0.0508
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.009	0.0242
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0178	0.4193
Trichomonas vaginalis	hypothetical protein	0.0029	0.0192	0.0192
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0055	0.0524	0.0524
Echinococcus multilocularis	cpg binding protein	0.0256	0.3152	0.7187
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0113	0.1284	0.2885
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.009	0.009
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0055	0.0524	0.0524
Trypanosoma brucei	DNA polymerase kappa, putative	0.012	0.137	0.3676
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase-like, putative	0.0028	0.0173	0.0465
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0144	0.1686	0.3811
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.009	0.0134
Loa Loa (eye worm)	acetyltransferase	0.014	0.1639	0.1867
Leishmania major	DNA polymerase eta, putative	0.0085	0.0923	0.2477
Schistosoma mansoni	ap endonuclease	0.0022	0.009	0.0089
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0316	0.3939	0.8999
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.032	0.0441
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.012	0.137	0.7184
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0103	0.1152	0.2579
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0094	0.1036	0.2312
Loa Loa (eye worm)	transcription factor SMAD2	0.026	0.3207	0.3656
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0001	0.0002
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type I	0.0028	0.0173	0.0216
Trypanosoma brucei	DNA damage repair protein, putative	0.0035	0.0265	0.0712
Plasmodium falciparum	phosphatidylinositol-4-phosphate 5-kinase	0.0028	0.0173	0.3952
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0079	0.0833	0.1845
Leishmania major	phosphatidylinositol (3,5) kinase, putative	0.0028	0.0173	0.0465
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.009	0.0242
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0345	0.0345
Giardia lamblia	DINP protein human, muc B family	0.012	0.137	1
Echinococcus granulosus	Smad4	0.0018	0.0038	0.0015
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.0911	0.2445
Trypanosoma brucei	ISWI complex protein	0.0025	0.0139	0.0373
Schistosoma mansoni	tyrosine kinase	0.0316	0.3939	0.5978
Echinococcus multilocularis	smad	0.0018	0.0038	0.0015
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0178	0.0479
Trichomonas vaginalis	set domain proteins, putative	0.078	1	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0301	0.1644
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0028	0.0173	0.0465
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0113	0.1284	0.1916
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0178	0.0479
Brugia malayi	MH1 domain containing protein	0.0018	0.0038	0.0043

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.5 nM	Inhibition of CYP3A4	ChEMBL.	18572407
IC50 (ADMET)	= 29 nM	AUC (0 to 4 hrs) in mouse plasma at 20 mg/kg, po	ChEMBL.	18572407
IC50 (binding)	= 39 nM	Inhibition of IGF1R in mouse SAL cells assessed as thymidine incorporation	ChEMBL.	18572407
IC50 (binding)	= 69 nM	Inhibition of IGF1R	ChEMBL.	18572407

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	18572407

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: CHEMBL521271

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1016528