TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.594 | Formula: C25H29N5O3S
H donors: 1 H acceptors: 4 LogP: 3.78 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(n1CC)CNc1ccccc1
InChi: 1S/C25H29N5O3S/c1-3-29-22(16-26-20-10-6-5-7-11-20)27-28-25(29)34-17-23(31)30-14-8-9-18-15-19(12-13-21(18)30)24(32)33-4-2/h5-7,10-13,15,26H,3-4,8-9,14,16-17H2,1-2H3
InChiKey: QNRVSCWHXQMUFN-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	solute carrier family 27 (fatty acid transporter), member 1	Starlite/ChEMBL	References
Mus musculus	solute carrier family 27 (fatty acid transporter), member 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma mansoni	FFA transport protein	Get druggable targets OG5_127399	All targets in OG5_127399
Candida albicans	similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399
Loa Loa (eye worm)	AMP-binding enzyme family protein	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania major	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma japonicum	ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania donovani	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium leprae	possible long-chain acyl-CoA synthase	Get druggable targets OG5_127399	All targets in OG5_127399
Candida albicans	similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma japonicum	Long-chain fatty acid transport protein 4, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Echinococcus multilocularis	long chain fatty acid transport protein 4	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania braziliensis	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Trypanosoma cruzi	fatty acid transporter protein-like, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Trypanosoma cruzi	fatty acid transporter protein-like, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Echinococcus granulosus	long chain fatty acid transport protein 4	Get druggable targets OG5_127399	All targets in OG5_127399
Brugia malayi	AMP-binding enzyme family protein	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania infantum	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	solute carrier family 27 (fatty acid transporter), member 1	646 aa	552 aa	22.8 %
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	solute carrier family 27 (fatty acid transporter), member 1	646 aa	519 aa	20.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0049	0.1875	0.7652
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0727	0.297
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.004	0.148	0.1439
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0043	0.1585	0.6533
Trichomonas vaginalis	antibiotic synthetase, putative	0.001	0.0131	0.049
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Loa Loa (eye worm)	hypothetical protein	0.001	0.0131	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0415	0.1672
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0565	0.5291
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0283	0.0188
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0029	0.0977	0.0914
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0224	0.9676	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0028	0.0936	0.3601
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.001	0.0131	0.0029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0415	0.1672
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0061	0.2419	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0011	0.0165	0.0153
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.001	0.0131	0.0137
Giardia lamblia	GTOR	0.0029	0.0977	0.9295
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0061	0.2419	0.234
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0565	0.2296
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0022	0.0646	0.0568
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0011	0.0165	0.0719
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.001	0.0131	0.0137
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0022	0.0646	0.2348
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.001	0.0131	0.0137
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0811	0.074
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.001	0.0131	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0977	0.4009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0415	0.1672
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.001	0.0102	0.009
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0029	0.0977	0.0914
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0565	0.049
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.0131	0.003
Schistosoma mansoni	DNA helicase recq5	0.001	0.0145	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0549	0.2227
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0011	0.0165	0.0719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0977	0.4009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0486	0.1965
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0283	0.0779
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0488	0.0476
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.001	0.0131	0.0137
Schistosoma mansoni	ap endonuclease	0.002	0.0565	0.0484
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.9676	1
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.0131	0.003
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0011	0.0165	0.0066
Entamoeba histolytica	acyl-coA synthetase, putative	0.001	0.0131	0.0123
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0114	0.4765	0.487
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0029	0.0977	0.0914
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0018	0.0488	0.0403
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0011	0.0165	0.0066
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0145	0.2025
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0011	0.0165	0.0067
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.001	0.0131	0.003
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0565	0.0592
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.001	0.0102	0.1372
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0052	0.2022	0.194
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0565	0.0468
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.001	0.0131	0.0137
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0811	0.3318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0727	0.297
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0029	0.0977	0.0914
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0029	0.0977	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0646	0.6215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0414	0.1668
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.001	0.0131	0.003
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0013	0.0263	0.1836
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0565	0.0484
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0727	0.297
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0145	0.0044
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0043	0.1585	0.6533
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0414	0.1668
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0565	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0977	0.4009
Onchocerca volvulus		0.001	0.0131	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0022	0.0646	0.2633
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0145	0.2025
Loa Loa (eye worm)	phosphatidylinositol 3	0.0029	0.0977	0.0966
Loa Loa (eye worm)	hypothetical protein	0.001	0.0131	0.0118
Toxoplasma gondii	exonuclease III APE	0.002	0.0565	0.8481
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0283	0.0191
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0011	0.0165	0.0066
Entamoeba histolytica	acyl-CoA synthetase, putative	0.001	0.0131	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0128	0.5388	0.5382
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0029	0.0977	0.0914
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0165	0.0633
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.001	0.0102	0.0372
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0811	0.074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0727	0.297
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0029	0.0977	0.0884
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0022	0.0646	0.2633
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.004	0.148	0.1392
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.001	0.0131	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0414	0.1668
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0058	0.2261	0.9319
Schistosoma mansoni	FFA transport protein	0.0224	0.9676	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0145	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Loa Loa (eye worm)	hypothetical protein	0.001	0.0131	0.0118
Leishmania major	fatty acid transporter protein-like protein	0.0221	0.9546	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0145	0.0043
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0145	0.0745
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0145	0.0044
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.001	0.0131	0.003
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.001	0.0131	0.003
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0011	0.0165	0.0064
Leishmania major	acetyl-CoA synthetase, putative	0.001	0.0131	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0575	0.2337
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0011	0.0165	0.0067
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0061	0.2419	1
Leishmania major	acetyl-CoA synthetase, putative	0.001	0.0131	0.003
Onchocerca volvulus		0.001	0.0131	0.5
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.001	0.0131	0.0137
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0565	0.4694
Schistosoma mansoni	ap endonuclease	0.002	0.0565	0.0484
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0565	0.5
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0231	1	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0024	0.0728	0.0663
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.001	0.0131	0.0137
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0061	0.2419	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0011	0.0165	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0615	0.0603
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0114	0.4765	0.487
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0572	0.0491
Plasmodium vivax	acetyl-CoA synthetase, putative	0.001	0.0131	0.0614
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.001	0.0131	0.1809
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.001	0.0131	0.003
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0029	0.0977	1
Onchocerca volvulus		0.001	0.0131	0.5
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.004	0.148	0.1439
Entamoeba histolytica	hypothetical protein	0.0049	0.1875	0.7652
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0145	0.0132
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0811	0.0799
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.001	0.0102	0.0372
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0165	0.0633
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0009	0.0083	0.0292
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.001	0.0131	0.0123
Schistosoma mansoni	acetyl-CoA synthetase	0.001	0.0131	0.003
Leishmania major	4-coumarate:coa ligase-like protein	0.001	0.0131	0.003
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0011	0.0165	0.0066
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0811	0.3318
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.001	0.0102	0.1372
Trichomonas vaginalis	DNA helicase recq, putative	0.0014	0.0283	0.1121
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0061	0.2419	1
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0565	0.2296
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0221	0.9546	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0102	0.4221	0.4213
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0029	0.0977	0.3778
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0565	0.0484
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0565	0.811
Onchocerca volvulus		0.001	0.0131	0.5
Trypanosoma cruzi	target of rapamycin kinase 3	0.0024	0.0728	0.0654
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0145	0.0043
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.001	0.0131	0.003
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0283	0.206
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0165	0.0633
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.001	0.0131	0.0325
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0015	0.0333	0.264
Toxoplasma gondii	propionate-CoA ligase	0.001	0.0131	0.1809
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0565	0.0553
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0811	0.0716
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0434	0.6473
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.9676	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0444	0.7372
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0565	0.0484
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.001	0.0131	0.0137
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0231	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0565	0.1999
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.001	0.0131	0.0137
Loa Loa (eye worm)	hypothetical protein	0.004	0.148	0.1469
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.001	0.0131	0.0137
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.001	0.0131	0.1809
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.001	0.0131	0.0137
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0145	0.0044
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0024	0.0728	0.7154
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0029	0.0977	0.3778
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0673	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.001	0.0131	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0165	0.0633
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0646	0.055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0799	0.3267
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0114	0.4765	0.487
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0478	0.1935
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.001	0.0131	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0415	0.1672
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0029	0.0977	0.0927
Loa Loa (eye worm)	hypothetical protein	0.001	0.0131	0.0118
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0224	0.9676	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0131	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0486	0.1965
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.001	0.0131	0.0029
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0221	0.9546	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.001	0.0131	0.0123
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.001	0.0131	0.0325
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Brugia malayi	AMP-binding enzyme family protein	0.001	0.0131	0.0029
Trichomonas vaginalis	antibiotic synthetase, putative	0.001	0.0131	0.049
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0061	0.2419	0.242
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0031	0.1041	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0022	0.0646	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0486	0.1965
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0565	0.044
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0029	0.0977	0.0927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.001	0.0102	0.0372
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0016	0.0378	0.2605
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0145	0.0044
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0022	0.0646	0.2348
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0565	0.0484
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0478	0.1935
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0664	0.2708
Onchocerca volvulus		0.001	0.0131	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0061	0.2419	0.242
Loa Loa (eye worm)	oxidoreductase	0.001	0.0131	0.0118
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0022	0.0646	0.2633
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0727	0.297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0165	0.0633
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.001	0.0131	0.0498
Schistosoma mansoni	DNA helicase recq1	0.001	0.0145	0.0044

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1 uM	Inhibition of human recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate	ChEMBL.	22749869
IC50 (binding)	= 2.9 uM	Inhibition of mouse recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate	ChEMBL.	22749869

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: CHEMBL2058341

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1671154