TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 536.669 | Formula: C28H58BrNO3
H donors: 0 H acceptors: 0 LogP: 9.85 Rotable bonds: 23
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCCCCCOCC(C[N+]1(C)CCOCC1)OCC.[Br-]
InChi: 1S/C28H58NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-27-28(32-5-2)26-29(3)21-24-30-25-22-29;/h28H,4-27H2,1-3H3;1H/q+1;/p-1
InChiKey: RJXWRJMAYRRITQ-UHFFFAOYSA-M

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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.004	0.0045	0.1433
Trichomonas vaginalis	replication factor C large subunit, putative	0.004	0.0045	0.0075
Trichomonas vaginalis	antibiotic synthetase, putative	0.005	0.0107	0.0524
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.005	0.0107	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1305	0.4068
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.004	0.0045	0.1433
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0121	0.0518	0.4056
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.005	0.0107	0.0924
Onchocerca volvulus		0.0171	0.081	0.6102
Schistosoma mansoni	transcription factor LCR-F1	0.0252	0.1286	0.3364
Loa Loa (eye worm)	hypothetical protein	0.004	0.0046	0.0144
Trichomonas vaginalis	antibiotic synthetase, putative	0.005	0.0107	0.0524
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0171	0.081	0.2525
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.005	0.0107	0.0524
Brugia malayi	Bromodomain containing protein	0.0037	0.0032	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0171	0.081	0.2525
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0401	0.1251
Brugia malayi	RNA binding protein	0.0582	0.3208	1
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.004	0.0045	0.0132
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.004	0.0045	0.5
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Brugia malayi	hypothetical protein	0.004	0.0045	0.0141
Echinococcus multilocularis	tar DNA binding protein	0.0582	0.3208	0.3208
Schistosoma mansoni	tar DNA-binding protein	0.0582	0.3208	0.8395
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0035	0.0109
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0128	0.0558	0.3829
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0035	0.0035
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0035	0.0092
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0582	0.3208	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.005	0.0107	0.0602
Treponema pallidum	DNA ligase (lig)	0.004	0.0045	0.5
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0171	0.081	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0171	0.081	0.5671
Plasmodium vivax	acyl-CoA synthetase, putative	0.0128	0.0558	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.005	0.0107	0.0107
Schistosoma mansoni	hypothetical protein	0.0252	0.1286	0.3364
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0121	0.0518	0.4056
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.005	0.0107	0.0524
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0128	0.0558	0.4398
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.004	0.0045	0.0075
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.005	0.0107	0.0332
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0107	0.0602
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0416	0.2239	0.2239
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0043	0.0066	0.026
Schistosoma mansoni	DNA ligase IV	0.004	0.0045	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0558	0.174
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0171	0.081	0.6513
Brugia malayi	hypothetical protein	0.004	0.0045	0.0141
Onchocerca volvulus		0.005	0.0107	0.0564
Onchocerca volvulus		0.004	0.0045	0.0081
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Brugia malayi	beta-lactamase family protein	0.0038	0.0035	0.0109
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0385	0.2059	0.2059
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0035	0.0109
Toxoplasma gondii	propionate-CoA ligase	0.005	0.0107	1
Onchocerca volvulus		0.005	0.0107	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0033	0.0102
Leishmania major	acetyl-CoA synthetase, putative	0.005	0.0107	0.0924
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0401	0.1251
Brugia malayi	topoisomerase	0.004	0.0045	0.0141
Schistosoma mansoni	hypothetical protein	0.0385	0.2059	0.5387
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.005	0.0107	0.0524
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0174	0.0456
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0045	0.0075
Leishmania major	4-coumarate:coa ligase-like protein	0.0171	0.081	1
Schistosoma mansoni	microtubule-associated protein tau	0.0687	0.3822	1
Loa Loa (eye worm)	glutaminase	0.0272	0.1402	0.4369
Brugia malayi	glutaminase DH11.1	0.0272	0.1402	0.4369
Echinococcus granulosus	nibrin	0.004	0.0045	0.0045
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.1225	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.005	0.0107	0.0602
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.005	0.0107	0.0524
Schistosoma mansoni	tar DNA-binding protein	0.0582	0.3208	0.8395
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Schistosoma mansoni	topbp1	0.004	0.0045	0.0119
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0107	0.0602
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0171	0.081	0.6166
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0035	0.0092
Plasmodium vivax	replication factor C subunit 1, putative	0.004	0.0045	0.0196
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.005	0.0107	0.0524
Schistosoma mansoni	thyroid hormone receptor	0.0416	0.2239	0.5858
Toxoplasma gondii	ATPase, AAA family protein	0.004	0.0045	0.1433
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.004	0.0045	0.0075
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.005	0.0107	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.005	0.0107	0.0332
Entamoeba histolytica	acyl-coA synthetase, putative	0.0171	0.081	0.6166
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.005	0.0107	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0019	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0045	0.0075
Brugia malayi	Bromodomain containing protein	0.0073	0.0241	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0057	0.0178
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0171	0.081	0.6166
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0216	0.0672
Brugia malayi	hypothetical protein	0.0252	0.1286	0.4007
Loa Loa (eye worm)	TAR-binding protein	0.0582	0.3208	1
Brugia malayi	RNA recognition motif domain containing protein	0.0582	0.3208	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0171	0.081	0.5671
Echinococcus granulosus	microtubule associated protein 2	0.0687	0.3822	0.3822
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.005	0.0107	0.0602
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.005	0.0107	0.1195
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Echinococcus multilocularis	tumor protein p63	0.1746	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0045	0.1433
Onchocerca volvulus		0.005	0.0107	0.0564
Mycobacterium ulcerans	acetyl-CoA synthetase	0.005	0.0107	0.0524
Brugia malayi	TAR-binding protein	0.0582	0.3208	1
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Schistosoma mansoni	topbp1	0.004	0.0045	0.0119
Brugia malayi	beta-lactamase	0.0038	0.0035	0.0109
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.005	0.0107	1
Brugia malayi	AMP-binding enzyme family protein	0.0171	0.081	0.2525
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.005	0.0107	0.0524
Mycobacterium ulcerans	acyl-CoA synthetase	0.0171	0.081	0.5671
Loa Loa (eye worm)	hypothetical protein	0.005	0.0107	0.0332
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0045	0.1433
Leishmania major	4-coumarate:coa ligase-like protein	0.0171	0.081	1
Trichomonas vaginalis	glutaminase, putative	0.0272	0.1402	1
Echinococcus granulosus	replication factor c subunit 1	0.004	0.0045	0.0045
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.005	0.0107	0.0602
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0121	0.0518	0.4056
Brugia malayi	AMP-binding enzyme family protein	0.0171	0.081	0.2525
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0107	0.0602
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.005	0.0107	0.0924
Loa Loa (eye worm)	glutaminase 2	0.0272	0.1402	0.4369
Schistosoma mansoni	hypothetical protein	0.0069	0.0216	0.0564
Plasmodium vivax	acetyl-CoA synthetase, putative	0.005	0.0107	0.1368
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0401	0.1251
Entamoeba histolytica	hypothetical protein	0.0252	0.1286	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0035	0.0035
Brugia malayi	AMP-binding enzyme family protein	0.0171	0.081	0.2525
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0171	0.081	0.5671
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.004	0.0045	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0558	0.174
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0171	0.081	0.5671
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0171	0.081	0.6513
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0171	0.081	0.5671
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0019	0.0019
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.005	0.0107	0.0602
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.005	0.0107	0.0602
Schistosoma mansoni	tar DNA-binding protein	0.0582	0.3208	0.8395
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0045	0.0075
Entamoeba histolytica	hypothetical protein	0.0252	0.1286	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.004	0.0045	0.1433
Loa Loa (eye worm)	oxidoreductase	0.005	0.0107	0.0332
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.005	0.0107	0.0924
Schistosoma mansoni	acetyl-CoA synthetase	0.005	0.0107	0.0279
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0385	0.2059	0.2059
Echinococcus multilocularis	nibrin	0.004	0.0045	0.0045
Onchocerca volvulus		0.0256	0.1305	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0558	0.174
Loa Loa (eye worm)	hypothetical protein	0.004	0.0045	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0558	0.174
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0252	0.1286	0.1286
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.005	0.0107	1
Giardia lamblia	Replication factor C, subunit 1	0.004	0.0045	0.5
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0107	0.0602
Schistosoma mansoni	tar DNA-binding protein	0.0582	0.3208	0.8395
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.004	0.0045	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0045	0.0075
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.005	0.0107	0.0602
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0128	0.0558	1
Plasmodium falciparum	acyl-CoA synthetase	0.0128	0.0558	1
Echinococcus multilocularis	microtubule associated protein 2	0.0687	0.3822	0.3822
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.005	0.0107	0.0524
Mycobacterium ulcerans	hypothetical protein	0.0171	0.081	0.5671
Mycobacterium ulcerans	glutaminase	0.0272	0.1402	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0217	0.0676
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0252	0.1286	0.1286
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.005	0.0107	1
Echinococcus granulosus	tar DNA binding protein	0.0582	0.3208	0.3208
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0171	0.081	1
Schistosoma mansoni	glutaminase	0.0272	0.1402	0.3668
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.005	0.0107	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Brugia malayi	DKFZp564C0469 protein	0.004	0.0045	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0558	0.174
Schistosoma mansoni	cellular tumor antigen P53	0.0256	0.1305	0.3415
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.005	0.0107	0.0107
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.004	0.0045	0.0141
Entamoeba histolytica	hypothetical protein	0.0252	0.1286	1
Loa Loa (eye worm)	RNA binding protein	0.0582	0.3208	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0045	0.0075
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0121	0.0518	0.4056
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.004	0.0045	0.1433
Leishmania major	4-coumarate:coa ligase-like protein	0.0171	0.081	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0401	0.1251
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.005	0.0107	1
Brugia malayi	Pax transcription activation domain interacting protein	0.004	0.0045	0.0141
Onchocerca volvulus		0.005	0.0107	0.0564
Schistosoma mansoni	thyroid hormone receptor	0.0416	0.2239	0.5858
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0154	0.0154
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.004	0.0045	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0171	0.081	0.2525
Echinococcus multilocularis	replication factor c subunit 1	0.004	0.0045	0.0045
Entamoeba histolytica	hypothetical protein	0.0252	0.1286	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.005	0.0107	0.0332
Schistosoma mansoni	chromosome transmission fidelity factor	0.004	0.0045	0.0119
Loa Loa (eye worm)	hypothetical protein	0.005	0.0107	0.0332
Leishmania major	acetyl-CoA synthetase, putative	0.005	0.0107	0.0924
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0171	0.081	0.5671
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0107	0.0524
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0154	0.0154
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.0107	0.0924
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0216	0.0672
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.005	0.0107	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0035	0.0109
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0035	0.0109
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.005	0.0107	1
Schistosoma mansoni	tar DNA-binding protein	0.0582	0.3208	0.8395
Brugia malayi	beta-lactamase family protein	0.0038	0.0035	0.0109

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	= 2.92 uM	Trypan blue exclusion assay (TB) was carried out for 48 h and the in vitro ID50 value was evaluated in the HL-60 leukemic cell system (n=1)	ChEMBL.	8336340
ID50 (functional)	= 2.92 uM	Trypan blue exclusion assay (TB) was carried out for 48 h and the in vitro ID50 value was evaluated in the HL-60 leukemic cell system (n=1)	ChEMBL.	8336340
ID50 (functional)	= 3.92 uM	Standard thymidine incorporation assay (TdR) was carried out for 48 h and involved a 24-h pulse of [3H]- thymidine (n=2) and ID50 value was evaluated	ChEMBL.	8336340
ID50 (functional)	= 3.92 uM	Standard thymidine incorporation assay (TdR) was carried out for 48 h and involved a 24-h pulse of [3H]- thymidine (n=2) and ID50 value was evaluated	ChEMBL.	8336340

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 101433