TDR Targets

Basic information

Technical information

TDR Targets ID: 1440706
Name: N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazo l-2-yl]acetyl]-(3-methylphenyl)amino]-2-pyrid in-4-ylacetamide
MW: 501.555 | Formula: C27H28FN7O2
H donors: 1 H acceptors: 6 LogP: 4.39 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: Cc1cccc(c1)N(C(C(=O)NC(C)(C)C)c1ccncc1)C(=O)Cn1nnc(n1)c1ccc(cc1)F
InChi: 1S/C27H28FN7O2/c1-18-6-5-7-22(16-18)35(24(19-12-14-29-15-13-19)26(37)30-27(2,3)4)23(36)17-34-32-25(31-33-34)20-8-10-21(28)11-9-20/h5-16,24H,17H2,1-4H3,(H,30,37)
InChiKey: PNOAJLQRGNVTAR-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

N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-methylphenyl)amino]-2-(4-pyridyl)acetamide
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(3-methylphenyl)amino]-2-(4-pyridyl)acetamide
N-tert-butyl-2-[2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl-(3-methylphenyl)amino]-2-pyridin-4-yl-ethanamide
SMR000284835
ASN 03862180
MLS000687877

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.3289	0.3181
Entamoeba histolytica	hypothetical protein	0.0058	0.0555	0.0403
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.0425	0.0425
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0374	0.4097	0.4002
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0023	0.0166	0.0047
Loa Loa (eye worm)	phosphatidylinositol 3	0.0901	1	1
Giardia lamblia	Hypothetical protein	0.0058	0.0555	0.0403
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0292	0.0269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.1162	0.1019
Leishmania major	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0023	0.0166	0.0188
Loa Loa (eye worm)	phosphatidylinositol 3	0.0302	0.3289	0.3273
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0901	1	1
Loa Loa (eye worm)	CYP4Cod1	0.0081	0.0816	0.0794
Mycobacterium leprae	putative cytochrome p450	0.0023	0.0166	0.0188
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0165	0.1758	0.1758
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0058	0.0555	0.0403
Schistosoma mansoni	cytochrome P450	0.0023	0.0166	0.0166
Loa Loa (eye worm)	cytochrome P450	0.0023	0.0166	0.0143
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0023	0.0166	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0023	0.0166	0.0188
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0058	0.0555	0.2478
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0042	0.002
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0058	0.0555	0.0534
Leishmania major	fk506-binding protein 1-like protein	0.0165	0.1758	0.1625
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0023	0.0166	0.0047
Schistosoma mansoni	hypothetical protein	0.0023	0.0159	0.0159
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0555	0.0555
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0023	0.0166	0.0047
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0166	0.0144
Toxoplasma gondii	FATC domain-containing protein	0.017	0.1813	0.2281
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.2478
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0058	0.0555	0.0403
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0555	0.0532
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0023	0.0166	0.0188
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0302	0.3289	0.3289
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0165	0.1758	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0023	0.0166	0.0047
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0023	0.0166	0.0047
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0901	1	1
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0023	0.0166	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0555	0.0532
Echinococcus granulosus	cytochrome P450 2K1	0.0023	0.0166	0.0166
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0023	0.0159	0.0135
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0901	1	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0023	0.0166	0.0008
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0901	1	1
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0023	0.0166	0.0047
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0555	0.0555
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0058	0.0555	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1502	0.1482
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0166	0.0143
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0165	0.1758	0.1625
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0058	0.0555	0.0403
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0042	0.0042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0023	0.0166	0.0047
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0043	0.0381	0.0381
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0043	0.0381	0.0358
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.017	0.1813	0.1681
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0058	0.0555	0.0546
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0717	0.7942	0.7909
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0058	0.0555	0.0403
Schistosoma mansoni	hypothetical protein	0.0023	0.0166	0.0166
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0538	0.5936	0.5871
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5355	0.528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0901	1	1
Leishmania major	cytochrome p450-like protein	0.0081	0.0816	0.0668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0555	0.0403
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0166	0.0144
Echinococcus granulosus	serine protein kinase ATM	0.017	0.1813	0.1813
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0302	0.3289	0.3181
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1162	0.1141
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0023	0.0159	0.5
Schistosoma mansoni	immunophilin	0.0165	0.1758	0.1758
Leishmania major	cytochrome p450-like protein	0.0023	0.0166	0.0008
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.017	0.1813	0.1681
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0042	0.0042
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0717	0.7942	0.7909
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0023	0.0159	0.5
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0058	0.0555	0.0403
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0058	0.0555	0.0546
Echinococcus multilocularis	cpg binding protein	0.0037	0.0314	0.0314
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0024	0.0024
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0023	0.0159	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.019	0.2031	0.1903
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Leishmania major	hypothetical protein, conserved	0.0058	0.0555	0.0403
Schistosoma mansoni	cpg binding protein	0.0037	0.0314	0.0314
Schistosoma mansoni	immunophilin	0.0143	0.1502	0.1502
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0058	0.0555	0.0403
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0058	0.0555	0.0546
Entamoeba histolytica	hypothetical protein	0.017	0.1813	0.1681
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.3289	0.3181
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0302	0.3289	0.3274
Onchocerca volvulus		0.0058	0.0555	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0302	0.3289	0.3181
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0023	0.0159	0.0137
Schistosoma mansoni	fkbp-rapamycin associated protein	0.017	0.1813	0.1813
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0901	1	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0058	0.0555	0.0403
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.017	0.1813	0.1813
Trichomonas vaginalis	fk506-binding protein, putative	0.0165	0.1758	0.1625
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0023	0.0166	0.0188
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0023	0.0166	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0554	0.0531
Schistosoma mansoni	hypothetical protein	0.0132	0.138	0.138
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0555	0.0555
Echinococcus multilocularis	fk506 binding protein	0.0165	0.1758	0.1758
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.0349	0.0194
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0058	0.0555	0.0403
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0058	0.0555	0.0403
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0023	0.0166	0.0047
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0058	0.0555	0.0555
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Echinococcus multilocularis		0.0023	0.0159	0.0159
Giardia lamblia	GTOR	0.0901	1	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.017	0.1813	0.1813
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0165	0.1758	0.1739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5347	0.5272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5355	0.528
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0058	0.0555	0.0546
Schistosoma mansoni	immunophilin	0.0165	0.1758	0.1758
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0165	0.1758	0.1625
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	conserved hypothetical protein	0.0112	0.1162	0.1019
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0058	0.0555	0.0403
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0533	0.5877	0.581
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0023	0.0166	0.0047
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0023	0.0166	0.0188
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0165	0.1758	0.1625
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0538	0.5936	0.5871
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0165	0.1758	0.1625
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0165	0.1758	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0769	0.8524	0.85
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0058	0.0555	0.2478
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0555	0.0532
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0042	0.0042
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0058	0.0555	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.064	0.0664
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0901	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0081	0.0816	0.0794
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0302	0.3289	0.3289
Trypanosoma cruzi	cytochrome P450, putative	0.0081	0.0816	0.0668
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0165	0.1758	0.1625
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0555	0.0403
Brugia malayi	cytochrome P450	0.0023	0.0166	0.0144
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5355	0.528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0165	0.1758	0.1758
Echinococcus multilocularis	serine protein kinase ATM	0.017	0.1813	0.1813
Echinococcus multilocularis		0.0023	0.0166	0.0166
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0166	0.0008
Trichomonas vaginalis	immunophilin, putative	0.0165	0.1758	0.1625
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.7934	0.7901
Entamoeba histolytica	hypothetical protein	0.0058	0.0555	0.0403
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0159	0.0135
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0023	0.0166	0.0188
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0023	0.0166	0.001
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0023	0.0166	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0242	0.2612	0.2493
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0533	0.5877	0.581
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0023	0.0166	0.0188
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0165	0.1758	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0165	0.1758	0.1625
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1961	0.1942
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0165	0.1758	0.1625
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0023	0.0166	0.0047
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.017	0.1813	0.1795
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0023	0.0166	0.0188
Schistosoma mansoni	fk506 binding protein	0.0023	0.0159	0.0159
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0042	0.0042
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0023	0.0159	0.0159
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0112	0.1162	0.1019
Entamoeba histolytica	protein kinase rad3, putative	0.017	0.1813	0.1681
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0165	0.1758	0.1625
Echinococcus granulosus	FK506 binding protein 2	0.0023	0.0159	0.0159
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0058	0.0555	0.2478
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0165	0.1758	0.1625
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0058	0.0555	0.0555
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0058	0.0555	0.0403
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0023	0.0166	0.0188
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0058	0.0555	0.0532
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0023	0.0166	0.0047
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0023	0.0166	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0023	0.0166	0.0188
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0555	0.0555
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0165	0.1758	0.1625
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0143	0.1502	0.1502
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0058	0.0555	0.2478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.017	0.1813	0.1681
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0023	0.0166	0.0047
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0023	0.0159	0.0159
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0165	0.1758	0.1625
Trypanosoma brucei	cytochrome P450, putative	0.0081	0.0816	0.0668
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.017	0.1813	0.1681
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.017	0.1813	0.1813
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0302	0.3289	0.3181
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0023	0.0159	0.0137
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0023	0.0166	0.0008
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0555	0.0532
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5355	0.528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.7934	0.7901
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0555	0.0532
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0023	0.0166	0.0188
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0023	0.0166	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5347	0.5272
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0555	0.0403
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0165	0.1758	0.1758
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0555	0.0532
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.017	0.1813	0.1681
Loa Loa (eye worm)	hypothetical protein	0.019	0.2031	0.2012
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0023	0.0166	0.0188
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0023	0.0166	0.0047
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0165	0.1758	0.1758
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0901	1	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0023	0.0166	0.0047
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0042	0.0018
Plasmodium vivax	hypothetical protein	0.0058	0.0555	0.2478
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0604	0.6676	0.6622
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.0403
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0042	0.0042
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0165	0.1758	0.1625
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0058	0.0555	0.0532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Toxoplasma gondii	target of rapamycin (TOR), putative	0.067	0.7413	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.0349	0.0194
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.7413	0.7371
Mycobacterium leprae	conserved hypothetical protein	0.0058	0.0555	1
Trypanosoma cruzi	cytochrome P450, putative	0.0081	0.0816	0.0668
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0023	0.0166	0.0047
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0023	0.0166	0.0188
Entamoeba histolytica	hypothetical protein	0.0058	0.0555	0.0403
Loa Loa (eye worm)	FKBP5 protein	0.0165	0.1758	0.1738
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0058	0.0555	0.0546
Entamoeba histolytica	hypothetical protein	0.0058	0.0555	0.0403
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0023	0.0159	0.5
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0165	0.1758	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0058	0.0555	0.0555
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0043	0.0381	0.0359
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0901	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.019	0.2031	0.2581
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0058	0.0555	0.0555
Echinococcus granulosus	cpg binding protein	0.0037	0.0314	0.0314
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0058	0.0555	0.0403
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0901	1	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.2478
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0023	0.0166	0.0188
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0165	0.1758	0.1739
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0023	0.0166	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0132	0.138	0.1359
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0024	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0132	0.138	0.1241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0901	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0538	0.5936	0.5871
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0302	0.3289	0.3289
Leishmania major	cytochrome p450-like protein	0.0023	0.0166	0.0008
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0302	0.3289	0.3181
Echinococcus multilocularis	Zinc finger, PHD finger	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.7934	0.7901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.3289	0.3181
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0023	0.0166	0.0047
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.0425	0.0425
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0081	0.0816	0.4113
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0143	0.1502	0.1502
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0058	0.0555	0.0403
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0302	0.3289	0.3181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.017	0.1813	0.1681
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.7934	0.7901
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0555	0.0403
Loa Loa (eye worm)	hypothetical protein	0.017	0.1813	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0555	0.0532
Brugia malayi	Cytochrome P450 family protein	0.0081	0.0816	0.0796
Leishmania major	peptidylprolyl isomerase-like protein	0.0165	0.1758	0.1625
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0058	0.0555	0.0555
Schistosoma mansoni	cpg binding protein	0.0037	0.0314	0.0314
Schistosoma mansoni	hypothetical protein	0.0058	0.0555	0.0555
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0023	0.0166	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0023	0.0166	0.0188
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0555	0.0534
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0555	0.2478
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0042	0.0042
Trypanosoma cruzi	target of rapamycin kinase 3	0.0717	0.7942	0.7909
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0023	0.0159	0.0135
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0728	0.0728
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0043	0.0381	0.0381
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0292	0.0271
Leishmania major	hypothetical protein, unknown function	0.0058	0.0555	0.0403
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0058	0.0555	0.0555
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0165	0.1758	0.1738
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0426	0.4678	0.4592
Loa Loa (eye worm)	cytochrome P450 family protein	0.0081	0.0816	0.0794
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0716	0.7934	0.7901
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0023	0.0159	0.0135
Brugia malayi	Cytochrome P450 family protein	0.0081	0.0816	0.0796
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0901	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0132	0.138	0.138
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0058	0.0555	0.0555
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0555	0.0403
Echinococcus multilocularis		0.0058	0.0555	0.0555
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.017	0.1813	0.1795
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.5347	0.5272
Brugia malayi	FAT domain containing protein	0.0132	0.138	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0318	0.0295
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0302	0.3289	0.3181
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.017	0.1813	0.1681
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0058	0.0555	0.2478
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0023	0.0166	0.0047
Onchocerca volvulus		0.0058	0.0555	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.3289	0.3181
Schistosoma mansoni	cpg binding protein	0.0035	0.0292	0.0292
Mycobacterium leprae	Conserved hypothetical protein	0.0023	0.0166	0.0188
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0058	0.0555	0.0403
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0555	0.0403
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0058	0.0555	0.0555
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0058	0.0555	0.0555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0585	0.6458	0.6401
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0023	0.0166	0.0188
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0901	1	1
Onchocerca volvulus		0.0035	0.0292	0.3372
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.3289	0.3181
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0132	0.138	0.138
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0555	0.0555
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0901	1	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0023	0.0166	0.0008
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0058	0.0555	0.0555

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1599823

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1440706