TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 513.865 | Formula: C21H25ClN3O8P
H donors: 2 H acceptors: 4 LogP: 1.51 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)C(NP(=O)(Oc1ccc(cc1)Cl)OCC1C=CC(O1)Cn1cc(C)c(=O)[nH]c1=O)C
InChi: 1S/C21H25ClN3O8P/c1-13-10-25(21(28)23-19(13)26)11-17-8-9-18(32-17)12-31-34(29,24-14(2)20(27)30-3)33-16-6-4-15(22)5-7-16/h4-10,14,17-18H,11-12H2,1-3H3,(H,24,29)(H,23,26,28)
InChiKey: XGOYICSZBVUBQM-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

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
Echinococcus multilocularis	RNA directed DNA polymerase	0.0036	0.0188	0.0699
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0076	1
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0036	0.0188	0.0699
Schistosoma mansoni	hypothetical protein	0.0033	0.0168	0.0164
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0015	0.004
Schistosoma mansoni	phosphoglucomutase	0.0425	0.2638	0.2635
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.007	0.3709
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0006	0.0021
Echinococcus granulosus	GPCR family 2	0.0033	0.0168	0.0622
Trypanosoma brucei	ingi protein (ORF1)	0.0461	0.2865	0.2861
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0015	0.004
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0136	0.0492
Brugia malayi	RNase H family protein	0.0425	0.2638	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0347	0.0342
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0076	0.0501
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0115	0.0414
Brugia malayi	reverse transcriptase	0.0036	0.0188	0.0692
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0006	0.0334
Brugia malayi	RNase H family protein	0.0425	0.2638	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.007	0.3709
Brugia malayi	hypothetical protein	0.0036	0.0188	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0076	0.0501
Schistosoma mansoni	hypothetical protein	0.0071	0.0409	0.0404
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0036	0.0188	0.0699
Schistosoma mansoni	hypothetical protein	0.0036	0.0189	0.0185
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0409	0.1529
Schistosoma mansoni	ferritin	0.0009	0.0016	0.0012
Echinococcus multilocularis	smad	0.0009	0.0015	0.004
Treponema pallidum	ribonuclease H (rnhA)	0.0425	0.2638	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0015	0.0063
Schistosoma mansoni	apoferritin-2	0.0009	0.0016	0.0012
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0115	1
Brugia malayi	hypothetical protein	0.0036	0.0189	0.0695
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0347	0.1299
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0115	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0006	0.0002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0168	0.0622
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0009	0.0016	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0076	0.0501
Schistosoma mansoni	hypothetical protein	0.0047	0.0255	0.025
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0115	0.0781
Brugia malayi	hypothetical protein	0.0228	0.14	0.5296
Trypanosoma brucei	SLACS reverse transcriptase, putative	0.0036	0.0188	0.0182
Schistosoma mansoni	ferritin	0.0009	0.0016	0.0012
Toxoplasma gondii	ribonuclease HI protein	0.0425	0.2638	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0168	0.0164
Schistosoma mansoni	protein kinase	0.0036	0.0188	0.0184
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0015	0.0011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.0616	0.4374
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Loa Loa (eye worm)	Smad1	0.0009	0.0015	0.0063
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0076	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0292	0.1086
Mycobacterium ulcerans	bacterioferritin BfrB	0.0009	0.0016	0.0906
Schistosoma mansoni	hypothetical protein	0.0036	0.0188	0.0184
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0115	0.0414
Schistosoma mansoni	smad	0.0009	0.0015	0.0011
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0255	0.0943
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0115	0.0414
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0006	0.0021
Trichomonas vaginalis	NeSL-1_NeSL reverse transcriptases, putative	0.0036	0.0188	0.0712
Brugia malayi	Zinc knuckle family protein	0.0036	0.0188	0.0692
Echinococcus multilocularis	cpg binding protein	0.0029	0.0146	0.0537
Onchocerca volvulus		0.0036	0.0188	0.0692
Schistosoma mansoni	hypothetical protein	0.0164	0.0992	0.0988
Trichomonas vaginalis	reverse transcriptases, putative	0.0036	0.0188	0.0712
Entamoeba histolytica	hypothetical protein	0.0036	0.0189	1
Echinococcus granulosus	KRAB A domain containing protein	0.0036	0.0188	0.0699
Echinococcus multilocularis	ribonuclease H1	0.0425	0.2638	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0189	0.0701
Brugia malayi	hypothetical protein	0.0036	0.0188	0.0692
Trypanosoma brucei	ribonuclease H1	0.0425	0.2638	0.2633
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0009	0.0016	0.0906
Schistosoma mansoni	ferritin	0.0009	0.0016	0.0012
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0015	0.0011
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0115	0.611
Echinococcus granulosus	smad	0.0009	0.0015	0.004
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0409	0.2887
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0015	0.0011
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0006	0.0334
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0189	0.0701
Schistosoma mansoni	phosphoglucomutase	0.0425	0.2638	0.2635
Brugia malayi	MH2 domain containing protein	0.0126	0.0753	0.2839
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0006	0.0334
Echinococcus granulosus	expressed protein	0.0009	0.0016	0.0044
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0168	0.0622
Schistosoma mansoni	hypothetical protein	0.0033	0.0168	0.0164
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0006	0.0007
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0347	0.2441
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0168	0.1162
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0347	0.0342
Onchocerca volvulus	Ribonuclease H1 homolog	0.0425	0.2638	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0115	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0188	0.0692
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.0753	0.5361
Entamoeba histolytica	hypothetical protein	0.0036	0.0189	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0015	0.0033
Trichomonas vaginalis	ferritin, putative	0.0009	0.0016	0.0059
Onchocerca volvulus		0.0047	0.0255	0.0943
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0076	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0347	0.0342
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0015	0.004
Schistosoma mansoni	hypothetical protein	0.0033	0.0168	0.0164
Onchocerca volvulus		0.0011	0.003	0.0089
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0036	0.0188	0.0184
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Schistosoma mansoni	apoferritin-2	0.0009	0.0016	0.0012
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Brugia malayi	reverse transcriptase	0.0036	0.0188	0.0692
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Schistosoma mansoni	cpg binding protein	0.0029	0.0146	0.0141
Mycobacterium tuberculosis	Possible maturase	0.0036	0.0188	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0189	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0006	0.0334
Trichomonas vaginalis	reverse transcriptases, putative	0.0036	0.0188	0.0712
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Schistosoma mansoni	phosphoglucomutase	0.0425	0.2638	0.2635
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0006	0.0334
Echinococcus multilocularis	ferritin	0.0009	0.0016	0.0044
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0006	0.0334
Echinococcus granulosus	cpg binding protein	0.0029	0.0146	0.0537
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0115	0.0414
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0015	0.004
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0168	0.0622
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.007	0.3709
Brugia malayi	MH1 domain containing protein	0.0009	0.0015	0.0033
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0115	0.5954
Trypanosoma brucei	SLACS retrotransposable element (part), putative	0.0036	0.0188	0.0182
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0115	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0332	0.0327
Schistosoma mansoni	hypothetical protein	0.0164	0.0992	0.0988
Giardia lamblia	Ribonuclease H	0.0425	0.2638	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0015	0.004
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0006	0.0334
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0425	0.2638	1
Echinococcus granulosus	ferritin	0.0009	0.0016	0.0044
Echinococcus multilocularis	geminin	0.0164	0.0992	0.3751
Schistosoma mansoni	ferritin light chain	0.0009	0.0016	0.0012
Schistosoma mansoni	cpg binding protein	0.0028	0.0136	0.0131
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0168	0.0622
Trypanosoma brucei	ingi protein (ORF1)	0.0461	0.2865	0.2861
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0115	0.0414
Brugia malayi	hypothetical protein	0.0036	0.0188	0.0692
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0347	0.1293
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.0616	0.2316
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0616	0.4374
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0115	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0006	0.0334
Schistosoma mansoni	hypothetical protein	0.0036	0.0188	0.0184
Trypanosoma brucei	hypothetical protein, conserved	0.0461	0.2865	0.2861
Leishmania major	ribonuclease H1, putative	0.0425	0.2638	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0146	0.0141
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0347	0.2441
Brugia malayi	Smad1	0.0009	0.0015	0.0033
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Trypanosoma brucei	unspecified product	0.0461	0.2865	0.2861
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0115	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0168	0.0622
Trichomonas vaginalis	ribonuclease H1, putative	0.0425	0.2638	1
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0009	0.0016	0.0857
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0036	0.0188	0.0699
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0136	0.0929
Echinococcus granulosus	RNA directed DNA polymerase	0.0036	0.0188	0.0699
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0015	0.0063
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0115	0.611
Mycobacterium ulcerans	bacterioferritin BfrA	0.0009	0.0016	0.0906
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0115	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0115	0.5954
Onchocerca volvulus		0.0024	0.0115	0.0414
Onchocerca volvulus		0.0028	0.0136	0.0492
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0076	0.0501
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0036	0.0188	0.0699
Entamoeba histolytica	hypothetical protein	0.0036	0.0189	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0461	0.2865	0.2861
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0188	0.0184
Schistosoma mansoni	ferritin	0.0009	0.0016	0.0012
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0168	0.1162
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0076	0.0501
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.0616	0.2316
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0347	0.0342
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.14	0.5299
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Echinococcus multilocularis	expressed protein	0.0009	0.0016	0.0044
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0347	0.0342
Echinococcus granulosus	geminin	0.0164	0.0992	0.3751
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0006	0.0007
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0036	0.0188	0.0699
Trypanosoma cruzi	ribonuclease H1, putative	0.0425	0.2638	1
Brugia malayi	RNA binding protein	0.0061	0.0347	0.1293
Echinococcus granulosus	Smad4	0.0009	0.0015	0.004
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0168	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0115	0.0781
Brugia malayi	Pao retrotransposon peptidase family protein	0.0036	0.0188	0.0692
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0015	0.004
Schistosoma mansoni	ferritin light chain	0.0009	0.0016	0.0012
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0006	0.0334
Echinococcus multilocularis	Smad4	0.0009	0.0015	0.004
Trypanosoma brucei	RNA helicase, putative	0.1594	1	1
Onchocerca volvulus		0.0036	0.0188	0.0692
Trypanosoma brucei	Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative	0.0036	0.0188	0.0182
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0347	0.1299
Brugia malayi	reverse transcriptase	0.0036	0.0188	0.0692
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0015	0.0011
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0076	0.4042
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0189	0.0185
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0115	1
Brugia malayi	MH1 domain containing protein	0.0009	0.0015	0.0033
Brugia malayi	TAR-binding protein	0.0061	0.0347	0.1293
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.0753	0.5361
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0006	0.0334
Echinococcus granulosus	ribonuclease H1	0.0425	0.2638	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0115	0.5954
Brugia malayi	MH2 domain containing protein	0.0009	0.0015	0.0033
Brugia malayi	Zinc knuckle family protein	0.0036	0.0188	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0228	0.14	1
Brugia malayi	RNase H family protein	0.0425	0.2638	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0115	0.0781
Schistosoma mansoni	Smad4	0.0009	0.0015	0.0011
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0014	0.0031
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0006	0.0334
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0076	0.6421
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0015	0.0063
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0115	1
Trichomonas vaginalis	reverse transcriptase [C. elegans], putative	0.0036	0.0188	0.0712
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0115	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0168	0.0615
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0115	0.0414
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0036	0.0188	0.0692
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0036	0.0188	0.0699
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.14	0.5299
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.007	0.3709
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0347	0.2441
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0255	0.025
Brugia malayi	hypothetical protein	0.0036	0.0188	0.0692
Trypanosoma cruzi	ribonuclease H1, putative	0.0425	0.2638	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 11 uM	In vitro concentration required to inhibit HIV-2 infected CEM/O cell proliferation	ChEMBL.	9986709
CC50 (functional)	= 11 uM	In vitro concentration required to inhibit HIV-2 infected CEM/O cell proliferation	ChEMBL.	9986709
EC50 (functional)	= 0.005 uM	In vitro effective compound concentration required to protect CEM/O cells against the cytopathogenicity of HIV-1	ChEMBL.	9986709
EC50 (functional)	= 0.005 uM	In vitro effective compound concentration required to protect CEM/O cells against the cytopathogenicity of HIV-1	ChEMBL.	9986709
EC50 (functional)	= 0.006 uM	In vitro effective compound concentration required to protect CEM/TK cells against the cytopathogenicity of HIV-1	ChEMBL.	9986709
EC50 (functional)	= 0.006 uM	In vitro effective compound concentration required to protect CEM/TK cells against the cytopathogenicity of HIV-1	ChEMBL.	9986709
EC50 (functional)	= 0.007 uM	In vitro effective compound concentration required to protect CEM/O cells against the cytopathogenicity of HIV-2	ChEMBL.	9986709
EC50 (functional)	= 0.007 uM	In vitro effective compound concentration required to protect CEM/O cells against the cytopathogenicity of HIV-2	ChEMBL.	9986709
EC50 (functional)	= 2.2 uM	In vitro effective compound concentration required to protect against MSV-induced transformation of C3H/3T3 cells	ChEMBL.	9986709
EC50 (functional)	= 2.2 uM	In vitro effective compound concentration required to protect against MSV-induced transformation of C3H/3T3 cells	ChEMBL.	9986709
Log Pa	= 1.43	Octanol-water partition coefficient of the compound was determined	ChEMBL.	9986709
MCC (functional)	> 100 uM	In vitro maximum cytotoxic alteration of cell C3H/3T3 morphology.	ChEMBL.	9986709
MCC (functional)	> 100 uM	In vitro maximum cytotoxic alteration of cell C3H/3T3 morphology.	ChEMBL.	9986709
T1/2 (ADMET)	= 0 hr	Half life of the compounds was calculated in the absence of pig liver esterase .	ChEMBL.	9986709
T1/2 (ADMET)	= 151 hr	Half life of the compounds was calculated in the presence of pig liver esterase .	ChEMBL.	9986709

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	9986709
Mus musculus	ChEMBL23	9986709

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

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 223657