TDR Targets

Basic information

Technical information

TDR Targets ID: 218387
Name: 2-chloro-5-methyl-7-(7-phenylheptyl)imidazo[5 ,1-f]pyridazine
MW: 341.878 | Formula: C20H24ClN3
H donors: 0 H acceptors: 2 LogP: 6.55 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2n(n1)c(CCCCCCCc1ccccc1)nc2C
InChi: 1S/C20H24ClN3/c1-16-18-14-15-19(21)23-24(18)20(22-16)13-9-4-2-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,14-15H,2-4,6,9-10,13H2,1H3
InChiKey: UJFJCVRFWFUVBF-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

7-(2-Chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptane
AIDS-006198
AIDS006198
Imidazopyridazine, PhHep deriv.
Imidazopyridazine 15d

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608

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
Schistosoma mansoni	septate junction protein	0.0051	0.0484	0.0527
Trypanosoma brucei	unspecified product	0.0029	0.0201	0.0181
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0151	0.3891
Toxoplasma gondii	EGF family domain-containing protein	0.0051	0.0484	0.1097
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0324	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0324	0.0814
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0088	0.0054
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0332	0.4088	0.4579
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0029	0.0013
Schistosoma mansoni	ap endonuclease	0.002	0.0088	0.0081
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0034	0.0269	0.831
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0033	0.0247	0.7642
Echinococcus multilocularis	carbonic anhydrase	0.0332	0.4088	0.4078
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0172	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Schistosoma mansoni	cpg binding protein	0.0058	0.0579	0.0634
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0708	0.8894	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.026	0.026
Schistosoma mansoni	lipoxygenase	0.0081	0.0866	0.0957
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0332	0.4088	0.4579
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0135	0.1561	0.1622
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0051	0.0484	0.0527
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.1595	0.1767
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0758	0.954	0.954
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Echinococcus granulosus	neurogenic locus protein delta	0.0051	0.0484	0.0492
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0078	0.0065
Echinococcus granulosus	RUN	0.0019	0.0078	0.0065
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0201	0.0181
Loa Loa (eye worm)	animal heme peroxidase	0.0278	0.3397	0.3799
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0088	0.0066
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0456	0.0481
Echinococcus granulosus	dnaJ subfamily B	0.0418	0.518	0.5422
Brugia malayi	hypothetical protein	0.0019	0.0078	0.0055
Schistosoma mansoni	hypothetical protein	0.0019	0.0078	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Onchocerca volvulus		0.0278	0.3397	1
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0078	0.0055
Brugia malayi	Fli-1 protein	0.0223	0.2681	0.2992
Schistosoma mansoni	hypothetical protein	0.01	0.1111	0.1233
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0324	1
Echinococcus granulosus	fibropellin Ia	0.0051	0.0484	0.0492
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0135	0.1561	0.1728
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0484	0.0513
Brugia malayi	RNase H family protein	0.0027	0.0172	0.0161
Schistosoma mansoni	gabp alpha	0.0073	0.0769	0.0848
Schistosoma mansoni	hypothetical protein	0.0135	0.1561	0.174
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.0062	0.0048
Echinococcus granulosus	slit 2 protein	0.0051	0.0484	0.0492
Schistosoma mansoni	peroxidasin	0.0278	0.3397	0.3808
Onchocerca volvulus		0.0051	0.0484	0.1225
Loa Loa (eye worm)	animal heme peroxidase	0.0278	0.3397	0.3799
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0073	0.0769	0.0835
Brugia malayi	Animal haem peroxidase family protein	0.0278	0.3397	0.3799
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0324	0.0323
Onchocerca volvulus	Dual oxidase homolog	0.0278	0.3397	1
Echinococcus multilocularis	carbonic anhydrase II	0.0708	0.8894	0.8892
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0324	0.0814
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0324	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332
Schistosoma mansoni	hypothetical protein	0.0016	0.0029	0.0015
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0135	0.1561	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0078	0.0055
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0078	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0324	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus granulosus	ribonuclease H1	0.0027	0.0172	0.0163
Echinococcus granulosus	replication protein A 70 kDa DNA binding	0.0034	0.0269	0.0265
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Trichomonas vaginalis	ribonuclease H1, putative	0.0027	0.0172	0.531
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0088	0.2721
Trypanosoma brucei	carbonic anhydrase-like protein	0.0708	0.8894	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.1595	0.1582
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0151	0.0124
Brugia malayi	notch-like transmembrane receptor	0.0051	0.0484	0.0513
Brugia malayi	GCC2 and GCC3 family protein	0.0051	0.0484	0.0513
Echinococcus granulosus	neural cadherin	0.0051	0.0484	0.0492
Schistosoma mansoni	cpg binding protein	0.0062	0.0622	0.0682
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0324	1
Brugia malayi	Peroxidasin	0.0278	0.3397	0.3799
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0088	0.0054
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0201	0.0181
Echinococcus granulosus	delta-like protein 1	0.0051	0.0484	0.0492
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0016	0.0041	0.1256
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0708	0.8894	1
Brugia malayi	Animal haem peroxidase family protein	0.0278	0.3397	0.3799
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Echinococcus multilocularis	neural cadherin	0.0051	0.0484	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0332	0.4088	0.4579
Loa Loa (eye worm)	carbonic anhydrase 3	0.0708	0.8894	1
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Echinococcus multilocularis	replication protein A 70 kDa DNA binding	0.0034	0.0269	0.0253
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0324	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Onchocerca volvulus	Chorion peroxidase homolog	0.0278	0.3397	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0078	0.132
Schistosoma mansoni	hypothetical protein	0.0135	0.1561	0.174
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0324	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0051	0.0484	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332
Schistosoma mansoni	hypothetical protein	0.0418	0.518	0.5817
Echinococcus granulosus	peroxidasin	0.0278	0.3397	0.355
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0078	0.0055
Onchocerca volvulus		0.0039	0.0324	0.0741
Schistosoma mansoni	ets-related	0.0223	0.2681	0.3002
Onchocerca volvulus	Peroxidasin homolog	0.0278	0.3397	1
Echinococcus granulosus	neurogenic locus notch protein	0.0051	0.0484	0.0492
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Schistosoma mansoni	ap endonuclease	0.002	0.0088	0.0081
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0029	0.0201	0.0181
Entamoeba histolytica	hypothetical protein	0.0025	0.0151	1
Schistosoma mansoni	apoptosis regulator bax	0.0135	0.1561	0.174
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0459	0.0485
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0088	0.0117
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Schistosoma mansoni	hypothetical protein	0.0332	0.4088	0.4586
Toxoplasma gondii	hypothetical protein	0.0332	0.4088	1
Echinococcus multilocularis	slit 2 protein	0.0051	0.0484	0.0469
Schistosoma mansoni	loxhd1	0.0019	0.0078	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0051	0.0484	0.1225
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0324	0.032
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0324	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0324	0.0332
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0088	0.0072
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0324	0.0332
Trypanosoma brucei	ribonuclease H1	0.0027	0.0172	0.0148
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0172	0.0175
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Echinococcus multilocularis	carbonic anhydrase	0.0332	0.4088	0.4078
Loa Loa (eye worm)	notch protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0088	0.0075
Schistosoma mansoni	rab6-interacting	0.0019	0.0078	0.0069
Echinococcus granulosus	neurogenic locus notch protein	0.0051	0.0484	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0332	0.4088	0.4579
Echinococcus multilocularis	GA binding protein alpha chain	0.0073	0.0769	0.0754
Onchocerca volvulus	Ribonuclease H1 homolog	0.0027	0.0172	0.0283
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0025	0.0151	0.0217
Echinococcus granulosus	GPCR family 2	0.0016	0.0029	0.0014
Trypanosoma brucei	RNA helicase, putative	0.01	0.1111	0.1209
Echinococcus granulosus	protein jagged 2	0.0051	0.0484	0.0492
Loa Loa (eye worm)	blistered cuticle protein 3	0.0278	0.3397	0.3799
Echinococcus granulosus	L aminoadipate semialdehyde	0.0089	0.097	0.1001
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.026	0.026
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0088	0.5241
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0025	0.0151	0.7485
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0459	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1561	0.1728
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0034	0.0269	0.831
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0151	0.0272
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1595	0.1779
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0172	0.0175
Brugia malayi	Blistered cuticle protein 3	0.0278	0.3397	0.3799
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Brugia malayi	Animal haem peroxidase family protein	0.0278	0.3397	0.3799
Onchocerca volvulus		0.0039	0.0324	0.0741
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0058	0.0579	0.062
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.0062	0.0046
Echinococcus granulosus	neurogenic locus notch protein 4	0.0051	0.0484	0.0492
Echinococcus granulosus	protein jagged 1	0.0051	0.0484	0.0492
Giardia lamblia	High cysteine protein	0.0051	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.097	0.1061
Leishmania major	ribonuclease H1, putative	0.0027	0.0172	0.0148
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0456	0.0495
Loa Loa (eye worm)	histone methyltransferase	0.0018	0.0062	0.0037
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0078	0.0065
Schistosoma mansoni	peroxidasin	0.0278	0.3397	0.3808
Onchocerca volvulus		0.0089	0.097	0.2687
Toxoplasma gondii	exonuclease III APE	0.002	0.0088	0.0117
Toxoplasma gondii	ABC1 family protein	0.0039	0.0324	0.07
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Onchocerca volvulus		0.0278	0.3397	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0078	0.0062
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0088	0.1676
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0324	0.0814
Schistosoma mansoni	carbonic anhydrase-related	0.0332	0.4088	0.4586
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0088	0.0054
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0051	0.0484	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0708	0.8894	1
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Schistosoma mansoni	hypothetical protein	0.0016	0.0029	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.2897	0.3024
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0324	0.032
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0151	0.5
Echinococcus granulosus	protein jagged 2	0.0051	0.0484	0.0492
Onchocerca volvulus	Peroxidasin homolog	0.0278	0.3397	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0324	0.0332
Onchocerca volvulus	Putative cubilin	0.0051	0.0484	0.1225
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0151	0.0272
Brugia malayi	Cadherin domain containing protein	0.0051	0.0484	0.0513
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0708	0.8894	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0332	0.4088	0.4579
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0029	0.0013
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0324	0.032
Onchocerca volvulus	Peroxidase homolog	0.0278	0.3397	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0324	0.0814
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.1595	0.1582
Echinococcus multilocularis	neurogenic locus notch protein	0.0051	0.0484	0.0469
Schistosoma mansoni	notch	0.0051	0.0484	0.0527
Schistosoma mansoni	hypothetical protein	0.0135	0.1561	0.174
Echinococcus multilocularis	dnaJ subfamily B	0.0418	0.518	0.5172
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0078	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Onchocerca volvulus		0.0049	0.0456	0.1138
Schistosoma mansoni	polycystin 1-related	0.0019	0.0078	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Brugia malayi	RNase H family protein	0.0027	0.0172	0.0161
Onchocerca volvulus		0.0051	0.0484	0.1225
Brugia malayi	beta-lactamase	0.0039	0.0324	0.0332
Schistosoma mansoni	hypothetical protein	0.0016	0.0029	0.0015
Echinococcus multilocularis	neurogenic locus notch protein	0.0051	0.0484	0.0469
Onchocerca volvulus		0.0039	0.0324	0.0741
Brugia malayi	Muscle positioning protein 4	0.0051	0.0484	0.0513
Schistosoma mansoni	hypothetical protein	0.0016	0.0029	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Echinococcus multilocularis	neurogenic locus protein delta	0.0051	0.0484	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0324	0.0346
Schistosoma mansoni	laminin gamma-3 chain	0.0051	0.0484	0.0527
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	apoptosis regulator protein	0.0135	0.1561	0.1728
Loa Loa (eye worm)	fli-1 protein	0.0223	0.2681	0.2992
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0151	0.0272
Brugia malayi	replication factor A 73 kDa subunit	0.0034	0.0269	0.0271
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1595	0.1779
Echinococcus granulosus	protein jagged 1	0.0051	0.0484	0.0492
Plasmodium falciparum	carbonic anhydrase	0.0332	0.4088	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0324	1
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Brugia malayi	hypothetical protein	0.0019	0.0078	0.0055
Leishmania major	carbonic anhydrase-like protein	0.0708	0.8894	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Brugia malayi	RNase H family protein	0.0027	0.0172	0.0161
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.1595	0.1767
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0059	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0459	0.0485
Mycobacterium ulcerans	lipase LipD	0.0039	0.0324	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.1595	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Echinococcus multilocularis	peroxidasin	0.0278	0.3397	0.3386
Echinococcus multilocularis	RUN	0.0019	0.0078	0.0062
Brugia malayi	hypothetical protein	0.0239	0.2897	0.3235
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0324	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0324	0.0814
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0324	0.0332
Onchocerca volvulus	Peroxidase homolog	0.0278	0.3397	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0027	0.0172	0.0148
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0078	0.0092
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0025	0.0151	0.7485
Echinococcus granulosus	carbonic anhydrase	0.0332	0.4088	0.4275
Echinococcus granulosus	GA binding protein alpha chain	0.0073	0.0769	0.0791
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0029	0.0014
Onchocerca volvulus	Putative replication factor A 73 kDa subunit	0.0031	0.0223	0.0437
Echinococcus granulosus	carbonic anhydrase	0.0332	0.4088	0.4275
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0088	0.2721
Brugia malayi	Ets-domain containing protein	0.0073	0.0769	0.0835
Schistosoma mansoni	cpg binding protein	0.0062	0.0622	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0633	0.0681
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0324	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.2897	0.3235
Brugia malayi	hypothetical protein	0.0278	0.3397	0.3799
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0324	0.0814
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.2897	0.2885
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.2983	1
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0151	0.2661
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0088	0.0054
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0324	0.0346
Brugia malayi	Ets-domain containing protein	0.0073	0.0769	0.0835
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0332	0.4088	0.4579
Echinococcus multilocularis	carbonic anhydrase	0.0332	0.4088	0.4078
Schistosoma mansoni	hypothetical protein	0.0049	0.0456	0.0495
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0116	0.1312	0.1298
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0051	0.0484	0.0513
Brugia malayi	Doublecortin family protein	0.0019	0.0078	0.0055
Onchocerca volvulus		0.0051	0.0484	0.1225
Loa Loa (eye worm)	animal heme peroxidase	0.0278	0.3397	0.3799
Echinococcus multilocularis	protein jagged 2	0.0051	0.0484	0.0469
Echinococcus granulosus	cpg binding protein	0.0062	0.0622	0.0636
Onchocerca volvulus	Slit protein homolog	0.0051	0.0484	0.1225
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0708	0.8894	1
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0151	0.2661
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1595	0.1779
Trichomonas vaginalis	esterase, putative	0.0039	0.0324	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus multilocularis	neurogenic locus protein delta	0.0051	0.0484	0.0469
Loa Loa (eye worm)	Notch2	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Echinococcus multilocularis	protein jagged 1	0.0051	0.0484	0.0469
Brugia malayi	Delta serrate ligand family protein	0.0051	0.0484	0.0513
Echinococcus granulosus	notch	0.0051	0.0484	0.0492
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0708	0.8894	1
Loa Loa (eye worm)	animal heme peroxidase	0.0278	0.3397	0.3799
Schistosoma mansoni	cell polarity protein	0.0051	0.0484	0.0527
Onchocerca volvulus		0.0278	0.3397	1
Echinococcus multilocularis	ribonuclease H1	0.0027	0.0172	0.0156
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0708	0.8894	1
Giardia lamblia	Ribonuclease H	0.0027	0.0172	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Brugia malayi	Cadherin domain containing protein	0.0051	0.0484	0.0513
Brugia malayi	Animal haem peroxidase family protein	0.0278	0.3397	0.3799
Echinococcus multilocularis	fibropellin Ia	0.0051	0.0484	0.0469
Echinococcus granulosus	carbonic anhydrase II	0.0708	0.8894	0.9321
Schistosoma mansoni	carbonic anhydrase	0.0332	0.4088	0.4586
Echinococcus multilocularis	protein jagged 1	0.0051	0.0484	0.0469
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0332	0.4088	0.4579
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0324	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0051	0.0484	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0111	0.1249	0.2985
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.1595	0.1658
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0135	0.1561	0.174
Trypanosoma cruzi	ribonuclease H1, putative	0.0027	0.0172	0.0148
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0088	0.0066
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0324	1
Schistosoma mansoni	slit	0.0051	0.0484	0.0527
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0459	0.0485
Schistosoma mansoni	hypothetical protein	0.0034	0.026	0.0275
Schistosoma mansoni	carbonic anhydrase-related	0.0332	0.4088	0.4586
Onchocerca volvulus		0.0051	0.0484	0.1225
Schistosoma mansoni	lipoxygenase	0.0116	0.1312	0.1459
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0089	0.097	0.1061
Echinococcus granulosus	carbonic anhydrase	0.0332	0.4088	0.4275
Echinococcus multilocularis	cpg binding protein	0.0062	0.0622	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0332	0.4088	0.4579
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0027	0.0172	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0324	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0758	0.954	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0089	0.097	0.1074
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0151	0.0124
Leishmania major	hypothetical protein, conserved	0.0039	0.0324	0.032
Schistosoma mansoni	rab6-interacting	0.0019	0.0078	0.0069
Brugia malayi	EGF-like domain containing protein	0.0051	0.0484	0.0513
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0324	0.0814
Loa Loa (eye worm)	replication factor A 73 kDa subunit	0.0034	0.0269	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Toxoplasma gondii	ribonuclease HI protein	0.0027	0.0172	0.0324
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0124	0.1418	0.1579
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0324	1
Onchocerca volvulus		0.0058	0.0579	0.151
Echinococcus multilocularis	notch	0.0051	0.0484	0.0469
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0332	0.4088	0.4579
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0089	0.097	0.0955
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Schistosoma mansoni	carbonic anhydrase-related	0.0332	0.4088	0.4586
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0029	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0484	0.0513
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0324	1
Treponema pallidum	ribonuclease H (rnhA)	0.0027	0.0172	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0324	0.0308
Schistosoma mansoni	hypothetical protein	0.0051	0.0484	0.0527
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0078	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0278	0.3397	0.3799
Schistosoma mansoni	replication factor A 1 rfa1	0.0034	0.0269	0.0285
Brugia malayi	Animal haem peroxidase family protein	0.0278	0.3397	0.3799
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0029	0.0014
Brugia malayi	CXXC zinc finger family protein	0.0058	0.0579	0.062
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0201	0.0181
Onchocerca volvulus		0.0051	0.0484	0.1225
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0116	0.1312	0.136
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0324	0.0332

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 250 uM	Inhibition of reverse transcriptase of HIV-1 (strain RF)-infected MT-4 cells in RPMI 1640 growth medium in MTM assay	ChEMBL.	7504733
EC50 (binding)	> 250 uM	Inhibition of reverse transcriptase of HIV-1 (strain RF)-infected MT-4 cells in RPMI 1640 growth medium in MTM assay	ChEMBL.	7504733
IC50 (binding)	= 14 uM	In vitro inhibitory concentration against reverse transcriptase of HIV-1 (RT)	ChEMBL.	7504733
IC50 (binding)	= 14 uM	In vitro inhibitory concentration against reverse transcriptase of HIV-1 (RT)	ChEMBL.	7504733
IC50 (functional)	= 250 uM	Inhibition of growth in uninfected MT-4 cells in MTM assay	ChEMBL.	7504733
IC50 (functional)	= 250 uM	Inhibition of growth in uninfected MT-4 cells in MTM assay	ChEMBL.	7504733

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: CHEMBL341238
PubChem: 455566

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 218387