TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.295 | Formula: C16H12F3N5O
H donors: 2 H acceptors: 4 LogP: 2.14 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ncc2c(n1)ccc(c2)c1cnc(c(c1)C(F)(F)F)N
InChi: 1S/C16H12F3N5O/c1-8(25)23-15-22-7-11-4-9(2-3-13(11)24-15)10-5-12(16(17,18)19)14(20)21-6-10/h2-7H,1H3,(H2,20,21)(H,22,23,24,25)
InChiKey: HLOHBDUWWWHNBW-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	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	1068 aa	927 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0468	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0251	0.5078	1
Entamoeba histolytica	ABC transporter, putative	0.0114	0.195	0.1727
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0146	0.2695	0.2553
Echinococcus multilocularis	multidrug resistance protein 1	0.0251	0.5078	0.4463
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0146	0.2695	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.111	0.0998
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0251	0.5078	0.3885
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0146	0.2695	0.2553
Giardia lamblia	Multidrug resistance-associated protein 1	0.0468	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0114	0.195	0.0945
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0146	0.2695	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0468	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0251	0.5078	1
Brugia malayi	ABC transporter family protein	0.0146	0.2695	0.2603
Loa Loa (eye worm)	ABC transporter	0.0146	0.2695	0.2603
Plasmodium vivax	ABC transporter B family member 6, putative	0.0146	0.2695	0.2381
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0222	0.4419	0.3722
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0146	0.2695	0.2381
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0146	0.2695	0.2381
Echinococcus multilocularis		0.0146	0.2695	0.1782
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0328	0.6821	0.6781
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0077	0.111	0.0998
Entamoeba histolytica	multidrug resistance protein, putative	0.0468	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0146	0.2695	0.0925
Entamoeba histolytica	P-glycoprotein 5, putative	0.0251	0.5078	0.4941
Loa Loa (eye worm)	hypothetical protein	0.0462	0.9856	0.9855
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0251	0.5078	0.4463
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.014	0.2551	0.4745
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0118	0.2056	0.3714
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0468	1	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0251	0.5078	0.5015
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0146	0.2695	0.5044
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0146	0.2695	0.0925
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Schistosoma mansoni	ABC transporter	0.0097	0.1576	0.1469
Echinococcus granulosus	multidrug resistance protein 1	0.0111	0.1899	0.0887
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0146	0.2695	0.2381
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0146	0.2695	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0081	0.1216	0.1966
Trypanosoma brucei	multidrug resistance protein E	0.0468	1	1
Toxoplasma gondii	ABC transporter family protein	0.0146	0.2695	0.0925
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Brugia malayi	ABC transporter transmembrane region family protein	0.014	0.2551	0.2457
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0146	0.2695	0.3464
Brugia malayi	ABC transporter	0.014	0.2551	0.2457
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0468	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0251	0.5078	0.4463
Schistosoma mansoni	multidrug resistance protein	0.0468	1	1
Loa Loa (eye worm)	ABC transporter	0.0097	0.1576	0.1469
Loa Loa (eye worm)	ABC transporter	0.0146	0.2695	0.2603
Loa Loa (eye worm)	phosphatidylinositol 3	0.0198	0.3871	0.3794
Echinococcus granulosus	multidrug resistance protein 1	0.0251	0.5078	0.4463
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.1736	0.1632
Echinococcus multilocularis	multidrug resistance protein 1	0.0111	0.1899	0.0887
Echinococcus multilocularis	ATP binding cassette sub family B	0.0245	0.4934	0.4301
Plasmodium falciparum	multidrug resistance protein 2	0.0146	0.2695	0.2381
Schistosoma mansoni	multidrug resistance protein	0.0251	0.5078	0.5015
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.004	0.027	0.0147
Plasmodium vivax	ABC transporter B family member 5, putative	0.0146	0.2695	0.2381
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0146	0.2695	0.2381
Entamoeba histolytica	P-glycoprotein-1	0.0251	0.5078	0.4941
Trypanosoma cruzi	ABC transporter, putative	0.0114	0.195	0.1794
Brugia malayi	hypothetical protein	0.0146	0.2695	0.2603
Brugia malayi	ABC transporter family protein	0.0251	0.5078	0.5015
Entamoeba histolytica	ABC transporter, putative	0.0468	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0251	0.5078	0.4463
Entamoeba histolytica	P-glycoprotein 6, putative	0.0146	0.2695	0.2492
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0468	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0251	0.5078	0.4463
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0251	0.5078	0.3885
Trichomonas vaginalis	taga, putative	0.0251	0.5078	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0251	0.5078	1
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0146	0.2695	0.2381
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0118	0.2056	0.3714
Schistosoma mansoni	multidrug resistance protein	0.0468	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0118	0.2056	0.3714
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.014	0.2551	0.2457
Trypanosoma brucei	ABC transporter, putative	0.0114	0.195	0.1727
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0081	0.1216	0.1966
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0118	0.2056	0.1835
Schistosoma mansoni	multidrug resistance protein	0.0251	0.5078	0.5015
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0322	0.6678	0.6263
Brugia malayi	multidrug resistance related protein 1	0.0468	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.0191	0.0067
Giardia lamblia	ABC transporter, putative	0.0468	1	1
Entamoeba histolytica	P-glycoprotein-2	0.0251	0.5078	0.4941
Plasmodium vivax	ABC transporter B family member 7, putative	0.0146	0.2695	0.2381
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0146	0.2695	0.0925
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0057	0.0667	0.0667
Echinococcus multilocularis	ATP binding cassette sub family G	0.0114	0.195	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0468	1	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0251	0.5078	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Trichomonas vaginalis	ABC transporter, putative	0.0251	0.5078	1
Trypanosoma brucei	p-glycoprotein	0.0468	1	1
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0146	0.2695	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0251	0.5078	0.5015
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.1976	0.1754
Entamoeba histolytica	hypothetical protein	0.0094	0.1508	0.1272
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0146	0.2695	0.2381
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0251	0.5078	0.4463
Schistosoma mansoni	multidrug resistance protein	0.014	0.2551	0.2457
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.014	0.2551	0.4745
Trichomonas vaginalis	abcb9, putative	0.0251	0.5078	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0146	0.2695	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0114	0.195	0.0945
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0146	0.2695	0.2381
Onchocerca volvulus		0.0251	0.5078	0.5
Leishmania major	p-glycoprotein	0.0251	0.5078	0.3885
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.004	0.027	0.0147
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0222	0.4419	0.3722
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0473	0.0353
Entamoeba histolytica	P-glycoprotein-2, putative	0.014	0.2551	0.2345
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0473	0.0353
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0251	0.5078	0.5
Loa Loa (eye worm)	hypothetical protein	0.0468	1	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2695	0.2603
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0146	0.2695	0.0925
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0146	0.2695	0.2603
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0146	0.2695	0.2381
Echinococcus granulosus	ATP binding cassette sub family G	0.0114	0.195	0.0945
Plasmodium vivax	ABC transporter B family member 4, putative	0.0146	0.2695	0.2381
Echinococcus multilocularis	ATP binding cassette sub family G	0.0114	0.195	0.0945
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0146	0.2695	0.2381
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0251	0.5078	0.4463
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0468	1	1
Giardia lamblia	Multidrug resistance-associated protein Mrp2	0.014	0.2551	0.2551
Entamoeba histolytica	P-glycoprotein-2	0.0251	0.5078	0.4941
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0468	1	1
Schistosoma mansoni	hypothetical protein	0.0091	0.1432	0.1324
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0468	1	1
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0114	0.195	0.1794
Echinococcus granulosus	multidrug resistance associated protein 7	0.0468	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0146	0.2695	0.5
Entamoeba histolytica	P-glycoprotein 6, putative	0.0146	0.2695	0.2492
Entamoeba histolytica	hypothetical protein	0.0468	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0118	0.2056	0.1901
Brugia malayi	ABC transporter family protein	0.0146	0.2695	0.2603
Trypanosoma cruzi	hypothetical protein	0.0322	0.6678	0.6613
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0251	0.5078	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0462	0.9856	0.9856
Leishmania major	ABC-thiol transporter	0.0468	1	1
Brugia malayi	ABC transporter	0.0146	0.2695	0.2603
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0473	0.0353
Giardia lamblia	Multidrug resistance-associated protein 1	0.0468	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0251	0.5078	0.4463
Echinococcus granulosus	multidrug resistance associated protein 1	0.0468	1	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0468	1	1
Brugia malayi	ABC transporter family protein	0.0146	0.2695	0.2603
Giardia lamblia	ABC transporter	0.0107	0.1807	0.1807
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0251	0.5078	1
Plasmodium vivax	ABC transporter B family member 3, putative	0.0146	0.2695	0.2381
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Entamoeba histolytica	P-glycoprotein-5	0.0251	0.5078	0.4941
Brugia malayi	ABC transporter transmembrane region family protein	0.0146	0.2695	0.2603
Loa Loa (eye worm)	hypothetical protein	0.0251	0.5078	0.5015
Echinococcus multilocularis	multidrug resistance protein 1	0.0251	0.5078	0.4463
Loa Loa (eye worm)	ABC transporter	0.0146	0.2695	0.2603
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.014	0.2551	0.4745
Schistosoma mansoni	multidrug resistance protein	0.0468	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0251	0.5078	1
Plasmodium vivax	multidrug resistance protein 2, putative	0.0146	0.2695	0.2381
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0111	0.1899	0.3388
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0146	0.2695	0.2492
Brugia malayi	P-glycoprotein-like protein	0.0146	0.2695	0.2603
Loa Loa (eye worm)	hypothetical protein	0.014	0.2551	0.2457
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0146	0.2695	0.0925
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0251	0.5078	1
Schistosoma mansoni	multidrug resistance protein	0.0146	0.2695	0.2603
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0146	0.2695	0.2492
Trichomonas vaginalis	ABC transporter, putative	0.0251	0.5078	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0468	1	1
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0114	0.195	0.1849
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0251	0.5078	0.4463
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0251	0.5078	0.5015
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0251	0.5078	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0146	0.2695	0.2603
Echinococcus multilocularis	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Echinococcus granulosus	multidrug resistance associated protein 4	0.0322	0.6678	0.6263
Giardia lamblia	MRP-like ABC transporter	0.0468	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0468	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0245	0.4934	0.4301
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0468	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.014	0.2551	0.1621
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0251	0.5078	0.4463
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0251	0.5078	0.4463
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.004	0.027	0.0081
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0251	0.5078	1
Leishmania major	pentamidine resistance protein 1	0.0468	1	1
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0114	0.195	0.1727
Brugia malayi	ABC transporter family protein	0.0097	0.1576	0.1469
Trichomonas vaginalis	conserved hypothetical protein	0.014	0.2551	0.4745
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0473	0.0353
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0146	0.2695	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0251	0.5078	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0146	0.2695	0.0925
Giardia lamblia	Hypothetical protein	0.014	0.2551	0.2551
Trichomonas vaginalis	ABC transporter, putative	0.0251	0.5078	1
Loa Loa (eye worm)	hypothetical protein	0.0245	0.4934	0.487
Brugia malayi	multidrug resistance protein 3	0.0251	0.5078	0.5015
Entamoeba histolytica	P-glycoprotein 5, putative	0.014	0.2551	0.2345
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0468	1	1
Trichomonas vaginalis	abcb9, putative	0.0251	0.5078	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0251	0.5078	0.4941
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0468	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0251	0.5078	0.4463
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0146	0.2695	0.5
Entamoeba histolytica	P-glycoprotein-2, putative	0.0251	0.5078	0.4941
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0118	0.2056	0.1901
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0146	0.2695	0.5
Schistosoma mansoni	multidrug resistance protein	0.0468	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.0562	0.03
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0118	0.2056	0.1955
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0251	0.5078	0.3885
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0146	0.2695	0.3464
Echinococcus granulosus	ATP binding cassette sub family G	0.0114	0.195	0.0945
Toxoplasma gondii	ABC transporter, putative	0.0146	0.2695	0.0925
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.1508	0.1272
Leishmania major	p-glycoprotein e	0.0468	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0468	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0318	0.0196
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0146	0.2695	0.0925
Echinococcus granulosus	multidrug resistance protein 1	0.0111	0.1899	0.0887
Echinococcus granulosus	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0146	0.2695	0.0925
Trichomonas vaginalis	ABC transporter, putative	0.0251	0.5078	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0222	0.4419	0.4349
Plasmodium falciparum	multidrug resistance protein 1	0.0251	0.5078	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0468	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0146	0.2695	1
Schistosoma mansoni	smdr1	0.0146	0.2695	0.2603
Echinococcus multilocularis	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Schistosoma mansoni	multidrug resistance protein	0.0251	0.5078	0.5015
Schistosoma mansoni	smdr2	0.0251	0.5078	0.5015
Echinococcus granulosus	ATP binding cassette sub family B	0.0146	0.2695	0.1782
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0468	1	1
Trichomonas vaginalis	abcb9, putative	0.0251	0.5078	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 10 uM	Cytotoxicity against human A2780 cells after 3 days by Cell Titre Glo assay	ChEMBL.	23820386
IC50 (binding)	= 1.6 uM	Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis	ChEMBL.	23820386

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23820386

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: CHEMBL2418957

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1770664