TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 655.829 | Formula: C35H37N5O4S2
H donors: 2 H acceptors: 4 LogP: 6.36 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1)Cc1ccccc1)OCc1nccs1
InChi: 1S/C35H37N5O4S2/c41-34(43-24-32-20-36-26-46-32)38-30(18-27-10-4-1-5-11-27)22-40(21-29-14-8-3-9-15-29)23-31(19-28-12-6-2-7-13-28)39-35(42)44-25-33-37-16-17-45-33/h1-17,20,26,30-31H,18-19,21-25H2,(H,38,41)(H,39,42)/t30-,31-/m0/s1
InChiKey: NFWXZIIEKXXDMY-CONSDPRKSA-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	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0946	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.0306	0.3232
Loa Loa (eye worm)	RNA binding protein	0.0123	0.3151	0.5704
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0074	0.0133
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0074	0.0074
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0074	0.0074
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0306	0.3232
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3151	0.3151
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0067	0.0161
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0302	0.5886
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.047	0.1139
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.1614	0.1614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0074	0.0133
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0946	0.2289
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0946	0.1333
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0074	0.0074
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0067	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0302	0.0547
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0074	0.0074
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0074	0.0074
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0074	0.0133
Brugia malayi	beta-lactamase family protein	0.0042	0.0946	0.1712
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.0513	0.5426
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0123	0.3151	0.5704
Loa Loa (eye worm)	hypothetical protein	0.0024	0.047	0.0851
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0074	0.0133
Brugia malayi	Calcitonin receptor-like protein seb-1	0.021	0.5525	1
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0209	0.0379
Echinococcus multilocularis	geminin	0.0374	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0093	0.0168
Leishmania major	hypothetical protein, conserved	0.0042	0.0946	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0074	0.0074
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0074	0.0074
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.021	0.5525	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0074	0.0133
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0306	0.0353
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0067	0.0077
Brugia malayi	beta-lactamase	0.0042	0.0946	0.1712
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.047	0.0851
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.047	0.0851
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0067	0.0121
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0074	0.0133
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0067	0.0077
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0074	0.0133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0275	0.0387
Leishmania major	cytochrome p450-like protein	0.0015	0.0209	0.2214
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.047	0.1139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0209	0.0379
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.2324	0.2324
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0306	0.0278
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0159	0.4131	0.5822
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0946	0.1333
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.0209	0.0507
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0306	0.0553
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Loa Loa (eye worm)	TAR-binding protein	0.0123	0.3151	0.5704
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0067	0.0704
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0306	0.0353
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.047	0.1139
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0946	0.1333
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0946	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0067	0.0077
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0513	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0074	0.0133
Mycobacterium ulcerans	lipase LipD	0.0042	0.0946	0.2289
Echinococcus multilocularis	GPCR, family 2	0.0066	0.1614	0.1614
Onchocerca volvulus		0.0042	0.0946	0.4069
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0074	0.0074
Brugia malayi	RNA recognition motif domain containing protein	0.0123	0.3151	0.5704
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0074	0.0133
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0026	0.0513	0.1242
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0513	0.052
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0026	0.0513	0.5426
Brugia malayi	TAR-binding protein	0.0123	0.3151	0.5704
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3151	0.3151
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0074	0.0074
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0946	0.1333
Echinococcus multilocularis	nibrin	0.001	0.0067	0.0067
Onchocerca volvulus		0.0042	0.0946	0.4069
Schistosoma mansoni	topbp1	0.001	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0306	0.0353
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0306	0.5354
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.1614	0.2922
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0513	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0306	0.0306
Schistosoma mansoni	hypothetical protein	0.0374	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0275	0.0387
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0067	0.0704
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0306	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0302	0.0547
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0302	0.3194
Giardia lamblia	Fructose-bisphosphate aldolase	0.0325	0.8662	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0074	0.0074
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0946	0.1092
Brugia malayi	nuclear hormone receptor	0.001	0.0074	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0074	0.0133
Onchocerca volvulus		0.0042	0.0946	0.4069
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0074	0.0074
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0074	0.0074
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0946	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1614	0.2922
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2472	0.2472
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0074	0.0074
Echinococcus granulosus	tar DNA binding protein	0.0123	0.3151	0.3151
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0026	0.0513	0.5426
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0074	0.0133
Onchocerca volvulus		0.0092	0.2324	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0306	0.3232
Brugia malayi	hypothetical protein	0.001	0.0067	0.0121
Schistosoma mansoni	coup transcription factor	0.001	0.0074	0.0074
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.1614	0.1614
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0306	0.0306
Schistosoma mansoni	ap endonuclease	0.0018	0.0306	0.0306
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.047	0.1139
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0946	0.1333
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.047	0.1139
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0946	0.2289
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0946	0.1092
Echinococcus granulosus	nibrin	0.001	0.0067	0.0067
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0209	0.2214
Brugia malayi	steroid hormone receptor	0.001	0.0074	0.0133
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.047	0.0543
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2472	0.2472
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0067	0.0161
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3151	0.3151
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0074	0.0316
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.047	0.4973
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.2324	0.2324
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0302	0.0547
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0074	0.0074
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.1614	0.1614
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0159	0.4131	1
Onchocerca volvulus		0.001	0.0067	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0302	0.0547
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0074	0.0133
Trichomonas vaginalis	esterase, putative	0.0042	0.0946	0.1092
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.047	0.4973
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0074	0.0074
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0946	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0306	0.5956
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.047	0.1139
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2324	0.4207
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0513	0.5426
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.2472	0.4474
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0067	0.0704
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0074	0.0316
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0306	0.074
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0074	0.0074
Schistosoma mansoni	hypothetical protein	0.0143	0.3715	0.3715
Schistosoma mansoni	hypothetical protein	0.0066	0.1614	0.1614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0074	0.0133
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0306	0.0553
Treponema pallidum	fructose-bisphosphate aldolase	0.0325	0.8662	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0946	0.0946
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0946	0.2289
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0074	0.0074
Onchocerca volvulus		0.0024	0.047	0.2024
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0074	0.0133
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0946	0.1092
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0074	0.0133
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0946	0.0946
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0067	0.0077
Brugia malayi	beta-lactamase family protein	0.0042	0.0946	0.1712
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0067	0.0704
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.047	0.1139
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0067	0.0067
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.047	0.4973
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0067	0.0704
Echinococcus granulosus	GPCR family 2	0.0066	0.1614	0.1614
Brugia malayi	topoisomerase	0.001	0.0067	0.0121
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0209	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0024	0.047	0.0851
Toxoplasma gondii	ABC1 family protein	0.0042	0.0946	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0067	0.0077
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0067	0.0121
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0074	0.0133
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0302	0.0426
Echinococcus multilocularis	tar DNA binding protein	0.0123	0.3151	0.3151
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0302	0.0547
Entamoeba histolytica	hypothetical protein	0.0026	0.0513	0.0592
Brugia malayi	nuclear receptor NHR-88	0.001	0.0074	0.0133
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0074	0.0074
Brugia malayi	RNA binding protein	0.0123	0.3151	0.5704
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2472	0.2472
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.0513	0.0723
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0946	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.047	0.0663
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0067	0.0077
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0946	0.1092
Brugia malayi	DKFZp564C0469 protein	0.001	0.0067	0.0121
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.2324	0.2324
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0074	0.0074
Brugia malayi	latrophilin 2 splice variant baaae	0.0143	0.3715	0.6724
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0209	0.2214
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0074	0.0074
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0946	1
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0209	0.0379
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0275	0.0387
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3151	0.3151
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0067	0.0067
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0302	0.5273
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0074	0.0074
Schistosoma mansoni	topbp1	0.001	0.0067	0.0067
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0074	0.0074
Schistosoma mansoni	hypothetical protein	0.0066	0.1614	0.1614
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0513	0.5426
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.047	0.0543
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2472	0.2472
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0209	0.2214
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0306	0.3232
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0325	0.8662	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.5525	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Onchocerca volvulus		0.001	0.0074	0.0316
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0074	0.0133
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0074	0.0074
Schistosoma mansoni	hypothetical protein	0.0066	0.1614	0.1614
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0946	0.1712
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0074	0.0074
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0074	0.0133
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0306	0.3232
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0946	0.2289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2472	0.2472
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0074	0.0133
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0302	0.0731
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.7096	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0074	0.0074
Schistosoma mansoni	DNA ligase IV	0.001	0.0067	0.0067
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.2472	0.4474
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0325	0.8662	1
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0946	0.1333
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0946	0.1712
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.1614	0.1614
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2472	0.2472
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0074	0.0133
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0074	0.0074
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0067	0.0077
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0306	0.3232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0074	0.0133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0275	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Mycobacterium ulcerans	hypothetical protein	0.0024	0.047	0.1139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.047	0.1139
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.047	0.0851
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0074	0.0133
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0067	0.0077
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0946	0.1333
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0074	0.0133
Brugia malayi	ecdysteroid receptor	0.001	0.0074	0.0133
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0946	0.1092
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0026	0.0513	0.1242
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0946	0.2289
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0067	0.0704
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.047	0.0663
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0067	0.0704
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0946	0.1333
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.2324	0.4207
Schistosoma mansoni	ap endonuclease	0.0018	0.0306	0.0306
Schistosoma mansoni	hypothetical protein	0.0066	0.1614	0.1614
Mycobacterium leprae	conserved hypothetical protein	0.0026	0.0513	0.1242
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0946	0.0946
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0074	0.0074
Schistosoma mansoni	hypothetical protein	0.0374	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.1614	0.2922
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0946	0.1712
Brugia malayi	hypothetical protein	0.001	0.0067	0.0121
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.021	0.5525	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0067	0.0077
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0946	0.1333
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.1614	0.2922
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2472	0.2472
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0074	0.0316
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.047	0.0543
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0306	0.0278
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0024	0.047	0.0851
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0074	0.0074
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.001	0.0067	0.0121
Entamoeba histolytica	hypothetical protein	0.001	0.0067	0.0077
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0067	0.1297
Loa Loa (eye worm)	hypothetical protein	0.0143	0.3715	0.6724
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3151	0.3151
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0946	0.2289
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0067	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0074	0.0133
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0067	0.0704
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.0513	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0159	0.4131	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0946	0.1333
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.047	0.1139
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0209	0.0379
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0325	0.8662	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.135 uM	Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline	ChEMBL.	19679477

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: CHEMBL1077934

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1101275