TDR Targets

Basic information

Technical information

TDR Targets ID: 305502
Name: (2R)-2-[(3S,4S)-3-[[4-[5-[(3-cyano-4-methoxyp henyl)methyl]-2-ethylpyrazol-3-yl]piperidin-1 -yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl ]-3-methylbutanoic acid
MW: 601.754 | Formula: C35H44FN5O3
H donors: 1 H acceptors: 4 LogP: 3.39 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1cc(ccc1OC)Cc1nn(c(c1)C1CCN(CC1)C[C@H]1CN(C[C@@H]1c1cccc(c1)F)[C@@H](C(=O)O)C(C)C)CC
InChi: 1S/C35H44FN5O3/c1-5-41-32(18-30(38-41)16-24-9-10-33(44-4)27(15-24)19-37)25-11-13-39(14-12-25)20-28-21-40(34(23(2)3)35(42)43)22-31(28)26-7-6-8-29(36)17-26/h6-10,15,17-18,23,25,28,31,34H,5,11-14,16,20-22H2,1-4H3,(H,42,43)/t28-,31+,34+/m0/s1
InChiKey: RLMKPCDGHIJQNP-LKQHQURMSA-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

(2R)-2-[(3S,4S)-3-[[4-[5-[(3-cyano-4-methoxy-phenyl)methyl]-2-ethyl-pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methyl-butanoic acid
(2R)-2-[(3S,4S)-3-[[4-[5-[(3-cyano-4-methoxyphenyl)methyl]-2-ethyl-3-pyrazolyl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)-1-pyrrolidinyl]-3-methylbutanoic acid
(2R)-2-[(3S,4S)-3-[[4-[5-[(3-cyano-4-methoxy-phenyl)methyl]-2-ethyl-pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methyl-butanoic acid
(2R)-2-[(3S,4S)-3-[[4-[5-(3-cyano-4-methoxy-benzyl)-2-ethyl-pyrazol-3-yl]piperidino]methyl]-4-(3-fluorophenyl)pyrrolidino]-3-methyl-butyric acid
(2R)-2-[(3S,4S)-3-[[4-[5-(3-cyano-4-methoxy-benzyl)-2-ethyl-pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methyl-butyric acid
(2R)-2-[(3S,4S)-3-({4-[3-(3-Cyano-4-methoxybenzyl)-1-ethyl-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylbutanoic acid
AIDS-193168
AIDS193168

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 2	Starlite/ChEMBL	References

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
Loa Loa (eye worm)	hypothetical protein	0.0576	0.6541	0.6541
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0321	0.3502	0.3502
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0321	0.3502	0.3502
Onchocerca volvulus	Protein ultraspiracle homolog	0.0036	0.0085	0.0006
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.006	0.0376	0.0376
Echinococcus granulosus	FTZ F1 alpha	0.0036	0.0085	0.0085
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0036	0.0085	0.0006
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0235	0.2465	0.2328
Echinococcus granulosus	acetylcholinesterase	0.0035	0.0083	0.0083
Echinococcus granulosus	ecdysone induced protein 78C	0.0036	0.0085	0.0085
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0083	0.0083
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0437	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0212	0.0212
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0036	0.0085	0.0085
Trypanosoma cruzi	hypothetical protein, conserved	0.0235	0.2465	0.2328
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0576	0.6541	0.6512
Brugia malayi	nuclear receptor NHR-88	0.0036	0.0085	0.0085
Echinococcus granulosus	peroxidasin	0.0128	0.1193	0.1193
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0321	0.3502	0.3385
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0177	0.0177
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0177
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0083	0.0083
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0235	0.2465	0.2465
Echinococcus multilocularis	ras gtpase	0.0585	0.6649	0.6649
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0036	0.0085	0.0085
Leishmania major	farnesyltransferase beta subunit	0.0865	1	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0576	0.6541	0.6541
Trypanosoma cruzi	hypothetical protein, conserved	0.0321	0.3502	0.3385
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0036	0.0085	0.0085
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0321	0.3502	0.3502
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0321	0.3502	0.3502
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0263	0.2803	0.2803
Trichomonas vaginalis	ral, putative	0.0585	0.6649	0.6621
Echinococcus multilocularis	carbonic anhydrase	0.006	0.0376	0.0376
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0235	0.2465	0.24
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0036	0.0085	0.0085
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0751	0.8642	1
Plasmodium vivax	geranylgeranyltransferase, putative	0.0235	0.2465	0.2465
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0321	0.3502	0.3447
Brugia malayi	photoreceptor-specific nuclear receptor	0.0036	0.0085	0.0085
Trypanosoma cruzi	hypothetical protein, conserved	0.0235	0.2465	0.2328
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0043	0.0177	0.0094
Schistosoma mansoni	coup transcription factor	0.0036	0.0085	0.0085
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0235	0.2465	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Trypanosoma cruzi	hypothetical protein, conserved	0.0321	0.3502	0.3385
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0036	0.0085	0.0085
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0043	0.0177	0.0177
Echinococcus multilocularis	ecdysone induced protein 78C	0.0036	0.0085	0.0085
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0262	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0437	0.0265
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0263	0.2803	0.2673
Schistosoma mansoni	microsomal glutathione s-transferase	0.0109	0.0958	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Schistosoma mansoni	peroxidasin	0.0128	0.1193	0.1193
Brugia malayi	Blistered cuticle protein 3	0.0128	0.1193	0.1193
Onchocerca volvulus		0.0036	0.0085	0.0006
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0036	0.0085	0.0085
Schistosoma mansoni	carbonic anhydrase-related	0.006	0.0376	0.0376
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0375	0.0375
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.005	0.0262	0.0262
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0085	0.0085
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0375	0.0201
Onchocerca volvulus	Bile acid receptor homolog	0.019	0.193	0.5402
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0865	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Echinococcus granulosus	carbonic anhydrase	0.006	0.0376	0.0376
Echinococcus multilocularis	carboxylesterase 5A	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Loa Loa (eye worm)	animal heme peroxidase	0.0128	0.1193	0.1193
Schistosoma mansoni	acetylcholinesterase	0.0035	0.0083	0.0083
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0585	0.6649	0.6621
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0865	1	1
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0321	0.3502	0.3385
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Schistosoma mansoni	peroxidasin	0.0128	0.1193	0.1193
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0043	0.0177	0.0094
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0235	0.2465	0.24
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0043	0.0177	0.0177
Echinococcus multilocularis	acetylcholinesterase	0.0035	0.0083	0.0083
Brugia malayi	RNA, U transporter 1	0.0081	0.0628	0.0628
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0235	0.2465	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Schistosoma mansoni	hypothetical protein	0.0036	0.0084	0.0084
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0437	0.0356
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0263	0.2803	0.2803
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0036	0.0085	0.0085
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0035	0.0083	0.0083
Entamoeba histolytica	Ras family GTPase	0.0585	0.6649	0.6621
Onchocerca volvulus	Peroxidase homolog	0.0128	0.1193	0.3247
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Onchocerca volvulus	Dual oxidase homolog	0.0128	0.1193	0.3247
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.011	0.011
Echinococcus multilocularis	para nitrobenzyl esterase	0.0035	0.0083	0.0083
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0085	0.0085
Loa Loa (eye worm)	steroid hormone receptor	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Leishmania major	carbonic anhydrase-like protein	0.0263	0.2803	0.2673
Schistosoma mansoni	hypothetical protein	0.0342	0.3751	0.3751
Schistosoma mansoni	thyroid hormone receptor	0.0163	0.1614	0.1614
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0353	0.3876	0.3876
Trichomonas vaginalis	rheb, putative	0.0585	0.6649	0.6621
Onchocerca volvulus	Peroxidasin homolog	0.0128	0.1193	0.3247
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0095
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0353	0.3876	0.3876
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0036	0.0085	0.0085
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0036	0.0085	0.0085
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0235	0.2465	0.2401
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0235	0.2465	0.2465
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0235	0.2465	0.2465
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0865	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0071	0.0071
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0865	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.006	0.0376	0.0376
Brugia malayi	Nuclear hormone receptor-like 1	0.0036	0.0085	0.0085
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0865	1	1
Echinococcus multilocularis	neuroligin	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.006	0.0376	0.0376
Brugia malayi	nuclear hormone receptor	0.0036	0.0085	0.0085
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0036	0.0085	0.0085
Echinococcus granulosus	para nitrobenzyl esterase	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Brugia malayi	hypothetical protein	0.0128	0.1193	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Brugia malayi	Steroid receptor seven-up type 2	0.0036	0.0085	0.0085
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0043	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0036	0.0085	0.0085
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0036	0.0085	0.0085
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0085	0.0085
Entamoeba histolytica	Ras family GTPase	0.0585	0.6649	0.6621
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0084	0.0084
Echinococcus multilocularis	carbonic anhydrase II	0.0263	0.2803	0.2803
Schistosoma mansoni	retinoic acid receptor RXR	0.0036	0.0085	0.0085
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0865	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0212	0.0212
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0083	0.0083
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0353	0.3876	0.3876
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.006	0.0376	0.0376
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.063	0.7195	0.7195
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Brugia malayi	ecdysteroid receptor	0.019	0.193	0.193
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0321	0.3502	0.3385
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.006	0.0376	0.0376
Trypanosoma cruzi	lanosterol synthase, putative	0.0751	0.8642	0.8617
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0235	0.2465	0.2465
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0043	0.0177	0.0094
Toxoplasma gondii	hypothetical protein	0.0254	0.2698	0.2698
Loa Loa (eye worm)	hypothetical protein	0.0585	0.6649	0.6649
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0095
Plasmodium vivax	polyprenol reductase, putative	0.0043	0.0177	0.0177
Onchocerca volvulus		0.0321	0.3502	1
Loa Loa (eye worm)	Ras protein let-60	0.0585	0.6649	0.6649
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0177	0.0095
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.019	0.193	0.193
Onchocerca volvulus	Peroxidase homolog	0.0128	0.1193	0.3247
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Trypanosoma brucei	hypothetical protein, conserved	0.0321	0.3502	0.3502
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0321	0.3502	0.3448
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0865	1	1
Schistosoma mansoni	hypothetical protein	0.006	0.0376	0.0376
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0212	0.0212
Onchocerca volvulus		0.0128	0.1193	0.3247
Plasmodium falciparum	polyprenol reductase, putative	0.0043	0.0177	0.0177
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.006	0.0376	0.0376
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0036	0.0085	0.0085
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0085	0.0085
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0321	0.3502	0.3502
Schistosoma mansoni	carbonic anhydrase	0.006	0.0376	0.0376
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0437	0.0437
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0177	0.0095
Schistosoma mansoni	gliotactin	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Loa Loa (eye worm)	hypothetical protein	0.006	0.0376	0.0376
Onchocerca volvulus		0.0128	0.1193	0.3247
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0321	0.3502	0.3502
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0576	0.6541	0.6541
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0043	0.0177	0.0177
Onchocerca volvulus		0.0128	0.1193	0.3247
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0474	0.5327	0.5327
Schistosoma mansoni	BC026374 protein (S09 family)	0.0035	0.0083	0.0083
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0576	0.6541	0.6511
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0043	0.0177	0.0177
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0085	0.0085
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0585	0.6649	0.6621
Schistosoma mansoni	thyroid hormone receptor	0.0163	0.1614	0.1614
Echinococcus granulosus	neuroligin	0.0035	0.0083	0.0083
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0036	0.0085	0.0085
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0865	1	1
Brugia malayi	hypothetical protein	0.0036	0.0084	0.0084
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.006	0.0376	0.0376
Echinococcus granulosus	snurportin 1	0.0304	0.3296	0.3296
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0085	0.0085
Brugia malayi	Animal haem peroxidase family protein	0.0128	0.1193	0.1193
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0375	0.0618
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Echinococcus multilocularis	carbonic anhydrase	0.006	0.0376	0.0376
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0865	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0177	0.0177
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.011	0.011
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0095
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0321	0.3502	0.3502
Giardia lamblia	Rab geranylgeranyltransferase	0.0321	0.3502	0.3385
Toxoplasma gondii	MAPEG family protein	0.0109	0.0958	0.0958
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0437	0.0265
Echinococcus granulosus	acetylcholinesterase	0.0035	0.0083	0.0083
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0576	0.6541	0.6541
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0865	1	1
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0235	0.2465	0.2465
Leishmania major	geranylgeranyltransferase, putative	0.0235	0.2465	0.2328
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0263	0.2803	0.2803
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0036	0.0085	0.0085
Loa Loa (eye worm)	animal heme peroxidase	0.0128	0.1193	0.1193
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0036	0.0085	0.0085
Echinococcus granulosus	geminin	0.0342	0.3751	0.3751
Brugia malayi	steroid hormone receptor	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0235	0.2465	0.2465
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0865	1	1
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0235	0.2465	0.2401
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Brugia malayi	Synaptic glycoprotein SC2	0.0043	0.0177	0.0177
Leishmania major	lanosterol synthase, putative	0.0517	0.5836	0.5761
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0353	0.3876	0.3876
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0109	0.0958	0.0958
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0036	0.0085	0.0085
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0865	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0231	0.2424	0.2424
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0576	0.6541	0.6512
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0177	0.0177
Trypanosoma brucei	carbonic anhydrase-like protein	0.0263	0.2803	0.2803
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0043	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0177	0.0177
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0083	0.0083
Trichomonas vaginalis	dexras1, putative	0.0585	0.6649	0.6621
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0576	0.6541	0.6541
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0375	0.0375
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Schistosoma mansoni	nuclear hormone receptor	0.0036	0.0085	0.0085
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0177
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0375	0.0375
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0865	1	1
Brugia malayi	Ras protein let-60	0.0585	0.6649	0.6649
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0036	0.0085	0.0085
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0353	0.3876	0.3876
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0177	0.0095
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0177	0.0095
Brugia malayi	hypothetical protein	0.0035	0.0083	0.0083
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0263	0.2803	0.2803
Echinococcus granulosus	carbonic anhydrase	0.006	0.0376	0.0376
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0036	0.0085	0.0085
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0036	0.0085	0.0085
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0437	0.0437
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0375	0.0618
Schistosoma mansoni	hypothetical protein	0.0034	0.0071	0.0071
Onchocerca volvulus		0.0043	0.0177	0.0276
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0311	0.3378	0.3849
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0083	0.0083
Echinococcus granulosus	carbonic anhydrase II	0.0263	0.2803	0.2803
Schistosoma mansoni	carbonic anhydrase-related	0.006	0.0376	0.0376
Schistosoma mansoni	hypothetical protein	0.0342	0.3751	0.3751
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0071	0.0071
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0035	0.0083	0.0083
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0084	0.0084
Mycobacterium ulcerans	carboxylesterase, LipT	0.0311	0.3378	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0128	0.1193	0.3247
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.3296	0.3296
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0235	0.2465	0.2465
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0235	0.2465	0.2465
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0321	0.3502	0.3502
Plasmodium falciparum	carbonic anhydrase	0.006	0.0376	0.0376
Giardia lamblia	Prenyltransferase	0.0865	1	1
Entamoeba histolytica	ras-1, putative	0.0585	0.6649	0.6621
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0576	0.6541	0.6512
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0036	0.0085	0.0085
Loa Loa (eye worm)	carbonic anhydrase 3	0.0263	0.2803	0.2803
Trypanosoma brucei	lanosterol synthase	0.0751	0.8642	0.8642
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0235	0.2465	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0177	0.0177
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0212	0.0212
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0177	0.0177
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0235	0.2465	0.2465
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0085	0.0085
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0437	0.0265
Onchocerca volvulus	Peroxidasin homolog	0.0128	0.1193	0.3247
Echinococcus granulosus	carboxylesterase 5A	0.0035	0.0083	0.0083
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.031	0.031
Echinococcus multilocularis	carbonic anhydrase	0.006	0.0376	0.0376
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0212	0.0212
Brugia malayi	follicle stimulating hormone receptor	0.0231	0.2424	0.2424
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Toxoplasma gondii	hypothetical protein	0.0321	0.3502	0.3502
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0235	0.2465	0.2465
Brugia malayi	Peroxidasin	0.0128	0.1193	0.1193
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0235	0.2465	0.2465
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0109	0.0958	0.0958
Echinococcus multilocularis	acetylcholinesterase	0.0035	0.0083	0.0083
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0035	0.0083	0.0083
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0576	0.6541	0.6541
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0865	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0128	0.1193	0.1193
Echinococcus granulosus	carbonic anhydrase	0.006	0.0376	0.0376
Toxoplasma gondii	hypothetical protein	0.006	0.0376	0.0376
Schistosoma mansoni	RAR-like nuclear receptor	0.0036	0.0085	0.0085
Giardia lamblia	Rab geranylgeranyltransferase	0.0576	0.6541	0.6478
Loa Loa (eye worm)	acetylcholinesterase 1	0.0035	0.0083	0.0083
Entamoeba histolytica	hypothetical protein	0.0043	0.0177	0.0094
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0177	0.0177
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0576	0.6541	0.6541
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0865	1	1
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0321	0.3502	0.3502
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0375	0.0618
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0036	0.0085	0.0085
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0235	0.2465	0.2465
Trichomonas vaginalis	rap1 and, putative	0.0585	0.6649	0.6621
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0036	0.0085	0.0085
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0036	0.0085	0.0085
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0375	0.0341
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2465	0.2465
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0043	0.0177	0.0177
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0263	0.2803	0.2673
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0437	0.0437
Echinococcus granulosus	synaptic glycoprotein sc2	0.0043	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0085	0.0085
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0262	0.0262
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0437	0.0437
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0321	0.3502	0.3502
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0235	0.0235
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0321	0.3502	0.3502
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0576	0.6541	0.6541
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0163	0.1614	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Echinococcus multilocularis	geminin	0.0342	0.3751	0.3751
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0128	0.1188	0.1188
Trypanosoma cruzi	lanosterol synthase, putative	0.0751	0.8642	0.8617
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0375	0.0375
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0128	0.1188	0.1188
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0084	0.0084
Schistosoma mansoni	lipoxygenase	0.0054	0.031	0.031
Schistosoma mansoni	carbonic anhydrase-related	0.006	0.0376	0.0376
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0212	0.0212
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0128	0.1188	0.1188
Schistosoma mansoni	hypothetical protein	0.0304	0.3296	0.3296
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0036	0.0085	0.0085
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0036	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1193	0.1193
Loa Loa (eye worm)	animal heme peroxidase	0.0128	0.1193	0.1193
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0262	0.0262
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.006	0.0376	0.0376
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0235	0.2465	0.2401
Brugia malayi	Animal haem peroxidase family protein	0.0128	0.1193	0.1193
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0375	0.0375
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.031	0.031
Echinococcus granulosus	ras gtpase	0.0585	0.6649	0.6649
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0036	0.0085	0.0085
Echinococcus multilocularis	FTZ F1 alpha	0.0036	0.0085	0.0085
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0177	0.0095
Brugia malayi	Animal haem peroxidase family protein	0.0128	0.1193	0.1193
Giardia lamblia	Rab geranylgeranyltransferase	0.0235	0.2465	0.2328
Brugia malayi	Animal haem peroxidase family protein	0.0128	0.1193	0.1193
Brugia malayi	Animal haem peroxidase family protein	0.0128	0.1193	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0085	0.0085
Brugia malayi	Ras-related protein R-Ras2	0.0585	0.6649	0.6649
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0801	0.9239	0.9239
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0254	0.2698	0.2636
Echinococcus granulosus	BC026374 protein S09 family	0.0035	0.0083	0.0083
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0035	0.0083	0.0083
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0235	0.2465	0.2465
Echinococcus multilocularis	snurportin 1	0.0304	0.3296	0.3296
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0321	0.3502	0.3502
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0865	1	1
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0865	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0128	0.1193	0.1193
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0263	0.2803	0.2803
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0437	0.0437
Brugia malayi	Carboxylesterase family protein	0.0035	0.0083	0.0083
Echinococcus multilocularis	peroxidasin	0.0128	0.1193	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0083	0.0083
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0321	0.3502	0.3385

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.8 nM	Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell	ChEMBL.	15012999
IC50 (binding)	= 0.8 nM	Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell	ChEMBL.	15012999
IC90 (functional)	= 1.2 nM	Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells	ChEMBL.	15012999
IC90 (functional)	= 1.2 nM	Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells	ChEMBL.	15012999
IC90 (functional)	= 300 nM	Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells plus 50% normal human serum	ChEMBL.	15012999
IC90 (functional)	= 300 nM	Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells plus 50% normal human serum	ChEMBL.	15012999

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: CHEMBL366492
PubChem: 516200

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 305502