TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.7 | Formula: C35H36N6O
H donors: 1 H acceptors: 4 LogP: 6.76 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N(c1ccc(cc1)Nc1nnc2c(n1)c(C)cc(c2)c1c(C)cccc1C)CCN1CCCC1)c1ccccc1
InChi: 1S/C35H36N6O/c1-24-10-9-11-25(2)32(24)28-22-26(3)33-31(23-28)38-39-35(37-33)36-29-14-16-30(17-15-29)41(21-20-40-18-7-8-19-40)34(42)27-12-5-4-6-13-27/h4-6,9-17,22-23H,7-8,18-21H2,1-3H3,(H,36,37,39)
InChiKey: BOTCEXZBULNTQA-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	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750

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
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0118	0.0118
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.1553	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Brugia malayi	Cytochrome P450 family protein	0.0124	0.0737	0.0737
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0029	0.0118	0.0054
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0029	0.0118	0.0054
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0191	0.0495
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0606	0.3864	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0028	0.0116	0.0116
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Schistosoma mansoni	tyrosine kinase	0.0045	0.0228	0.0228
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1553	1	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0228	0.0591
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Schistosoma mansoni	cytochrome P450	0.0029	0.0118	0.0118
Plasmodium falciparum	dihydroorotate dehydrogenase	0.1553	1	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.0176	0.0435
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0029	0.0118	0.0054
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0029	0.0118	0.0054
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0228	0.0591
Loa Loa (eye worm)	cytochrome P450	0.0029	0.0118	0.0018
Leishmania major	cytochrome p450-like protein	0.0037	0.0176	0.0061
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0029	0.0118	0.0002
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0029	0.0118	0.0054
Brugia malayi	Zinc finger, C2H2 type family protein	0.0606	0.3864	0.3864
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0029	0.0118	0.0054
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0606	0.3864	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0029	0.0118	0.0054
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0606	0.3864	1
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.0176	0.0061
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0028	0.0116	0.0134
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.1553	1	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0037	0.0176	0.0435
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Brugia malayi	protein-tyrosine kinase	0.0041	0.02	0.02
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0029	0.0118	0.0054
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0606	0.3864	1
Schistosoma mansoni	dihydroorotate dehydrogenase	0.1553	1	1
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0029	0.0118	0.0002
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0606	0.3864	1
Leishmania major	dihydroorotate dehydrogenase	0.1553	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0606	0.3864	1
Mycobacterium leprae	Conserved hypothetical protein	0.0029	0.0118	0.0054
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Echinococcus granulosus	cytochrome P450 2K1	0.0029	0.0118	0.0307
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0029	0.0118	0.0054
Loa Loa (eye worm)	SRC-1	0.0045	0.0228	0.0809
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0606	0.3864	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0228	0.0591
Loa Loa (eye worm)	TK protein kinase	0.0041	0.02	0.0602
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0191	0.0495
Loa Loa (eye worm)	cytochrome P450 family protein	0.0037	0.0176	0.0435
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0029	0.0118	0.0054
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0029	0.0118	0.0054
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.025	0.1554	0.4022
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0029	0.0118	0.0054
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0029	0.0118	0.0054
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0116	0.0134
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.1553	1	1
Echinococcus granulosus	tyrosine kinase	0.0041	0.02	0.0516
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0029	0.0118	0.0054
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0606	0.3864	0.3792
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Echinococcus multilocularis		0.0029	0.0118	0.0307
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0228	0.0591
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0228	0.0591
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0606	0.3864	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1553	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0037	0.0176	0.0112
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0606	0.3864	1
Loa Loa (eye worm)	hypothetical protein	0.0222	0.1372	0.9051
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.1553	1	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.02	0.0516
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0228	0.0591
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium leprae	putative cytochrome p450	0.0029	0.0118	0.0054
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0029	0.0118	0.0054
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0029	0.0118	0.0054
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0228	0.0591
Trypanosoma brucei	cytochrome P450, putative	0.0037	0.0176	0.0061
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.025	0.1554	0.1554
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0228	0.0591
Leishmania major	cytochrome p450-like protein	0.0029	0.0118	0.0002
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0228	0.0591
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0029	0.0118	0.0054
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.017	0.044
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0029	0.0118	0.0054
Schistosoma mansoni	hypothetical protein	0.0029	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.02	0.0516
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0029	0.0118	0.0002
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.02	0.0516
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0029	0.0118	0.0054
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.017	0.044
Brugia malayi	Cytochrome P450 family protein	0.0037	0.0176	0.0176
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.1553	1	1
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0029	0.0118	0.0054
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0029	0.0118	0.0054
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0028	0.0116	0.03
Loa Loa (eye worm)	cytochrome P450 family protein	0.0124	0.0737	0.4475
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0029	0.0118	0.0054
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0028	0.0116	0.03
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0606	0.3864	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0028	0.0116	0.0116
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.02	0.0516
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0029	0.0118	0.0054
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.02	0.0516
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0029	0.0118	0.0054
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0029	0.0118	0.0054
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0228	0.0591
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0029	0.0118	0.0054
Brugia malayi	Cytochrome P450 family protein	0.0037	0.0176	0.0176
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0228	0.0591
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1553	1	1
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.1553	1	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0606	0.3864	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0029	0.0118	0.0054
Loa Loa (eye worm)	TK protein kinase	0.0036	0.017	0.0389
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0029	0.0118	0.0054
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0029	0.0118	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0242	0.1504	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0028	0.0116	0.0116
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0029	0.0118	0.0054
Brugia malayi	SRC-1	0.0045	0.0228	0.0228
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0029	0.0118	0.0054
Leishmania major	cytochrome p450-like protein	0.0029	0.0118	0.0002
Brugia malayi	cytochrome P450	0.0029	0.0118	0.0118
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0028	0.0116	0.0134
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Schistosoma mansoni	tyrosine kinase	0.0045	0.0228	0.0228
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.1553	1	1
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1553	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0037	0.0176	0.0061
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.025	0.1554	0.4022
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0228	0.0591
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0029	0.0118	0.0054
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0029	0.0118	0.0002
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0029	0.0118	0.0054
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0029	0.0118	0.0002
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0029	0.0118	0.0054
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0028	0.0116	0.0134
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0029	0.0118	0.0054

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.016 uM	Inhibition of Src	ChEMBL.	17113292
IC50 (binding)	= 0.016 uM	Inhibition of Src	ChEMBL.	17113292
IC50 (functional)	= 2.4 uM	Antitumor activity against mouse CT26 cells	ChEMBL.	17113292
IC50 (functional)	= 2.4 uM	Antitumor activity against mouse CT26 cells	ChEMBL.	17113292

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	17113292

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: CHEMBL231235

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 428345