TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 560.727 | Formula: C33H44N4O4
H donors: 1 H acceptors: 4 LogP: 4.73 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OCCC1CCCCN1C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
InChi: 1S/C33H44N4O4/c1-32(2,3)26-14-12-25(13-15-26)30(40)34-20-17-33(18-21-34)31(41)35(24-37(33)28-10-5-4-6-11-28)23-29(39)36-19-8-7-9-27(36)16-22-38/h4-6,10-15,27,38H,7-9,16-24H2,1-3H3
InChiKey: VDVTVMBTQOMIOH-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	NPC1-like 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206

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	0.0446	0.0238	0.3044
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0263	0.0121	0.0118
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0263	0.0121	0.0031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.072	0.0413	0.5084
Brugia malayi	FAT domain containing protein	0.0523	0.0288	0.3523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1276	0.077	0.9839
Entamoeba histolytica	hypothetical protein	0.074	0.0427	0.5279
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0373	0.0191	0.2331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.074	0.0427	0.5453
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0373	0.0191	0.0241
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1296	0.0782	0.9653
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0709	0.0406	0.449
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0263	0.0121	0.1461
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0773	0.0447	0.572
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0263	0.0121	0.1276
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0709	0.0406	0.4997
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.051	0.0279	0.3054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.0432	0.5518
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.003	0.0249
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0263	0.0121	0.1461
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1296	0.0782	0.0779
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0753	0.0435	0.5559
Loa Loa (eye worm)	cytochrome P450 family protein	0.0131	0.0036	0.0411
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1271	0.0766	1
Loa Loa (eye worm)	hypothetical protein	0.0709	0.0406	0.5011
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0373	0.0191	0.2338
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1296	0.0782	0.2008
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0024	0.0021
Trichomonas vaginalis	conserved hypothetical protein	0.0523	0.0288	0.3677
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1296	0.0782	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1232	0.0741	0.9477
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1473	0.0895	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0841	0.0491	0.6133
Loa Loa (eye worm)	phosphatidylinositol 3	0.1296	0.0782	0.9681
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0294	0.0141	0.0091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9638
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0263	0.0121	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0786	0.0456	0.5626
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9637
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.051	0.0279	0.3568
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0263	0.0121	0.1276
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0373	0.0191	0.2447
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.074	0.0427	0.4716
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0756	0.9665
Schistosoma mansoni	hypothetical protein	0.0523	0.0288	0.315
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0263	0.0121	0.1465
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.051	0.0279	0.3321
Echinococcus granulosus	expressed conserved protein	0.0112	0.0024	0.0021
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5701	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.1104	0.0659	0.8428
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1255	0.0756	0.1812
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9637
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1276	0.077	0.981
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1232	0.0741	0.9477
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0806	0.0469	0.5255
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.051	0.0279	0.3568
Giardia lamblia	GTOR	0.1296	0.0782	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0477	0.0258	0.0441
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.051	0.0279	0.3321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9637
Entamoeba histolytica	hypothetical protein	0.0967	0.0572	0.7204
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.134	0.081	0.2091
Trypanosoma cruzi	hypothetical protein, conserved	0.5473	0.3455	1
Loa Loa (eye worm)	hypothetical protein	0.0384	0.0199	0.2427
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0373	0.0191	0.0188
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1104	0.0659	0.164
Brugia malayi	Cytochrome P450 family protein	0.0131	0.0036	0.041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Trypanosoma cruzi	target of rapamycin kinase 3	0.1276	0.077	0.197
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.072	0.0413	0.041
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1104	0.0659	0.8428
Onchocerca volvulus		0.0263	0.0121	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0373	0.0191	0.0241
Echinococcus granulosus	serine protein kinase ATM	0.074	0.0427	0.0423
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1232	0.0741	0.9381
Loa Loa (eye worm)	hypothetical protein	0.0523	0.0288	0.3533
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0121	0.1465
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0894	0.0525	0.6709
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0294	0.0141	0.0057
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0967	0.0572	0.7204
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1296	0.0782	0.1887
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.072	0.0413	0.041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1473	0.0895	0.0892
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0263	0.0121	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0477	0.0258	0.3168
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0373	0.0191	0.1062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9638
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0263	0.0121	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0786	0.0456	0.5829
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0029	0.0026
Echinococcus multilocularis	Zinc finger, PHD finger	0.0373	0.0191	0.0188
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1296	0.0782	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.074	0.0427	0.5245
Trichomonas vaginalis	conserved hypothetical protein	0.0446	0.0238	0.3044
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1473	0.0895	0.0892
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0373	0.0191	0.0188
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0373	0.0191	0.02
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1296	0.0782	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0373	0.0191	0.2157
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0373	0.0191	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0263	0.0121	0.1549
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0373	0.0191	0.02
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1257	0.0757	0.9679
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1296	0.0782	0.1887
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0302	0.0146	0.038
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0583	0.0326	0.3942
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0523	0.0288	0.0284
Loa Loa (eye worm)	phosphatidylinositol 3	0.0263	0.0121	0.1465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1232	0.0741	0.9477
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0263	0.0121	0.0031
Entamoeba histolytica	hypothetical protein	0.0263	0.0121	0.1225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0263	0.0121	0.1549
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0786	0.0456	0.5189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1252	0.0754	0.9638
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0757	0.0437	0.478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Schistosoma mansoni	hypothetical protein	0.0263	0.0121	0.1276
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.134	0.081	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0263	0.0121	0.5
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0263	0.0121	0.1549
Loa Loa (eye worm)	hypothetical protein	0.072	0.0413	0.5098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0263	0.0121	0.1549
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1296	0.0782	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1271	0.0766	0.9798
Trichomonas vaginalis	PIKK family atypical protein kinase	0.083	0.0484	0.6191
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.051	0.0279	0.0503
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0709	0.0406	0.0403
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0062	0.0058
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.051	0.0279	0.3568
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0373	0.0191	0.1088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1296	0.0782	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.0432	0.5518
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0709	0.0406	0.0884
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0373	0.0191	0.2447
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0732	0.0421	0.5208
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.134	0.081	0.0807
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1232	0.0741	0.1771
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0373	0.0191	0.2067
Onchocerca volvulus		0.0263	0.0121	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0263	0.0121	0.1465
Loa Loa (eye worm)	phosphatidylinositol 3	0.1255	0.0756	0.9355
Mycobacterium leprae	conserved hypothetical protein	0.0263	0.0121	0.5
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0523	0.0288	0.0284
Echinococcus multilocularis	serine protein kinase ATM	0.074	0.0427	0.0423
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0373	0.0191	0.1088
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1104	0.0659	0.8129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1232	0.0741	0.9477
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.04	0.0209	0.1326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0283	0.0134	0.171
Leishmania major	hypothetical protein, conserved	0.5736	0.3623	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0373	0.0191	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0062	0.0058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0709	0.0406	0.5197
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0894	0.0525	0.6709
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0732	0.0421	0.5385
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0263	0.0121	0.1276
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0709	0.0406	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1296	0.0782	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.134	0.081	0.9038
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.1104	0.0659	0.8428
Loa Loa (eye worm)	phosphatidylinositol 3	0.0263	0.0121	0.1465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1276	0.077	0.9839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1276	0.077	0.9839
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0029	0.0026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1257	0.0757	0.9679
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0263	0.0121	0.1461
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1276	0.077	0.1852
Entamoeba histolytica	hypothetical protein	0.0263	0.0121	0.1225
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0373	0.0191	0.2157
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0373	0.0191	0.0188
Echinococcus multilocularis		0.0263	0.0121	0.0118
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1296	0.0782	0.8723
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0373	0.0191	0.2447
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0373	0.0191	0.2067
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1255	0.0756	0.9603
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.074	0.0427	0.0944
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1296	0.0782	0.2008
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0263	0.0121	0.0118
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1296	0.0782	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0029	0.0317
Loa Loa (eye worm)	phosphatidylinositol 3	0.0247	0.0111	0.1334
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.074	0.0427	0.462
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1296	0.0782	0.0779
Entamoeba histolytica	hypothetical protein	0.0263	0.0121	0.1225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1276	0.077	0.9839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1276	0.077	0.9839
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0029	0.0318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.0432	0.5518
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.134	0.081	0.2091
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1104	0.0659	0.8368
Toxoplasma gondii	FATC domain-containing protein	0.074	0.0427	0.4733
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0263	0.0121	0.1225
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0263	0.0121	0.0031
Entamoeba histolytica	protein kinase rad3, putative	0.0709	0.0406	0.5013
Loa Loa (eye worm)	phosphatidylinositol 3	0.0263	0.0121	0.1465
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1104	0.0659	0.164
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0263	0.0121	0.0118
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.051	0.0279	0.3417
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.051	0.0279	0.2389
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0369	0.0189	0.2302
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.134	0.081	0.0807
Loa Loa (eye worm)	phosphatidylinositol 3	0.1336	0.0808	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.1 uM	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from human NCP1L1 expressed in HEK 293	ChEMBL.	21030254

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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: CHEMBL1632079

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1464767