TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.548 | Formula: C28H29N3O4
H donors: 1 H acceptors: 4 LogP: 3.79 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCN1C(c2ccncc2)C(=C(C1=O)O)C(=O)c1ccc(c(c1)C)OCc1ccccc1)C
InChi: 1S/C28H29N3O4/c1-19-17-22(9-10-23(19)35-18-20-7-5-4-6-8-20)26(32)24-25(21-11-13-29-14-12-21)31(16-15-30(2)3)28(34)27(24)33/h4-14,17,25,33H,15-16,18H2,1-3H3
InChiKey: KAWZYBYQVFFWKB-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
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Hypothetical protein	0.0034	0	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0235	0.0235
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0093	0.0096
Trichomonas vaginalis	antibiotic synthetase, putative	0.0126	0.0344	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0008	0.0009
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0126	0.0344	0.0361
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.0226	0.0234
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0008	0.0009
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.0226	0.0237
Entamoeba histolytica	acyl-coA synthetase, putative	0.0126	0.0344	1
Leishmania major	acetyl-CoA synthetase, putative	0.0126	0.0344	0.0361
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0126	0.0344	0.0356
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	0.0226
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0415	0.0415
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0126	0.0344	0.0344
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0126	0.0344	0.0356
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0093	0.0096
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0126	0.0344	0.0361
Schistosoma mansoni	microsomal glutathione s-transferase	0.0359	0.1215	0.1258
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Leishmania major	4-coumarate:coa ligase-like protein	0.0126	0.0344	0.0361
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.012	0.012
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0235	0.0235
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Onchocerca volvulus		0.0126	0.0344	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0126	0.0344	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0344	0.0344
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0126	0.0344	0.0344
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.2706	1	1
Brugia malayi	hypothetical protein	0.0036	0.0008	0.0008
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.0415	0.0429
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0359	0.1215	0.1258
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0092	0.0216	0.0227
Echinococcus granulosus	muscleblind protein	0.0145	0.0415	0.0429
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0093	0.0093
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0126	0.0344	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0126	0.0344	0.0344
Brugia malayi	Probable ClpP-like protease	0.0094	0.0226	0.0226
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0126	0.0344	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0126	0.0344	0.0356
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0093	0.0763
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0126	0.0344	0.2833
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0126	0.0344	0.0356
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.2614	0.9656	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0126	0.0344	0.0361
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0126	0.0344	1
Loa Loa (eye worm)	oxidoreductase	0.0126	0.0344	0.0344
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.0104	0.0109
Leishmania major	4-coumarate:coa ligase-like protein	0.0126	0.0344	0.0361
Toxoplasma gondii	propionate-CoA ligase	0.0126	0.0344	0.2833
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0126	0.0344	0.0344
Schistosoma mansoni	FFA transport protein	0.2614	0.9656	1
Toxoplasma gondii	MAPEG family protein	0.0359	0.1215	1
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0126	0.0344	0.0361
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0126	0.0344	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.0226	0.0234
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.0104	0.0109
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0126	0.0344	0.0344
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0034	0	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0008	0.0246
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	0.0226
Schistosoma mansoni	hypothetical protein	0.0066	0.012	0.0124
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.0226	0.0234
Entamoeba histolytica	hypothetical protein	0.0036	0.0008	0.0246
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0126	0.0344	0.0344
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0034	0	0.5
Onchocerca volvulus		0.0126	0.0344	1
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0126	0.0344	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0344	0.0344
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0126	0.0344	0.0344
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0093	0.0093
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0126	0.0344	1
Brugia malayi	AMP-binding enzyme family protein	0.0126	0.0344	0.0344
Entamoeba histolytica	hypothetical protein	0.0036	0.0008	0.0246
Echinococcus granulosus	long chain fatty acid transport protein 4	0.2614	0.9656	1
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.1565	0.573	0.5934
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0359	0.1215	0.1258
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0126	0.0344	0.0344
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0126	0.0344	0.2833
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0126	0.0344	0.0361
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.0104	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0066	0.012	0.012
Entamoeba histolytica	hypothetical protein	0.0036	0.0008	0.0246
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.2614	0.9656	1
Mycobacterium ulcerans	hypothetical protein	0.0126	0.0344	0.0344
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0034	0	0.5
Leishmania major	acetyl-CoA synthetase, putative	0.0126	0.0344	0.0361
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0093	0.0097
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0093	0.0093
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.2706	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0226	0.1857
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.258	0.9528	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0226	0.0226
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	0.6556
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0126	0.0344	0.0344
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Brugia malayi	Muscleblind-like protein	0.0145	0.0415	0.0415
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0126	0.0344	0.0361
Echinococcus multilocularis	muscleblind protein	0.0145	0.0415	0.0429
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0126	0.0344	0.0361
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	1
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0126	0.0344	0.0344
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0126	0.0344	0.0361
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0008	0.0009
Leishmania major	fatty acid transporter protein-like protein	0.258	0.9528	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Onchocerca volvulus		0.0126	0.0344	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0126	0.0344	0.0356
Onchocerca volvulus		0.0126	0.0344	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.0104	0.0109
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0126	0.0344	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0235	0.0235
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0126	0.0344	0.0344
Trichomonas vaginalis	antibiotic synthetase, putative	0.0126	0.0344	1
Giardia lamblia	Long chain fatty acid CoA ligase 4	0.0034	0	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0126	0.0344	0.0361
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0093	0.0096
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0226	0.1857
Schistosoma mansoni	hypothetical protein	0.0036	0.0008	0.0009
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.258	0.9528	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0093	0.0096
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0126	0.0344	0.0361
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0126	0.0344	0.0344
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0126	0.0344	0.0361
Giardia lamblia	Long chain fatty acid CoA ligase, putative	0.0034	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0344	0.0344
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.2614	0.9656	1
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.0104	0.0108
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0126	0.0344	0.0361
Mycobacterium ulcerans	acyl-CoA synthetase	0.0126	0.0344	0.0344
Onchocerca volvulus		0.0126	0.0344	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0344	0.0344
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0126	0.0344	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0126	0.0344	0.0361
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0093	0.0097
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0126	0.0344	0.0344
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0226	0.5
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0344	0.0344
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0126	0.0344	0.0361
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0126	0.0344	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0415	0.0415
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0126	0.0344	0.0356
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.0226	0.6556
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0034	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1594441

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1442035