TDR Targets

Basic information

Technical information

TDR Targets ID: 186135
Name: (2,6-dimethylphenyl)-[4-[(3S)-4-[(1S)-1-(4-io dophenyl)ethyl]-3-methylpiperazin-1-yl]piperi din-1-yl]methanone
MW: 545.499 | Formula: C27H36IN3O
H donors: 0 H acceptors: 1 LogP: 5.49 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: Ic1ccc(cc1)[C@@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)C
InChi: 1S/C27H36IN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1
InChiKey: RYUYDSMTRQCJHP-VXKWHMMOSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(2,6-dimethylphenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]-1-piperidyl]methanone
(2,6-dimethylphenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-1-piperazinyl]-1-piperidinyl]methanone
(2,6-dimethylphenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]piperidin-1-yl]methanone
(2,6-dimethylphenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazino]piperidino]methanone
4-{4-[1(S)-(4-Iodophenyl)ethyl]-3(S)-methyl-1-piperazinyl}-1-(2,6-dimethylbenzoyl)piperidine
AIDS-105213
AIDS105213
1-(2,6-Dimethyl-phenyl)-1-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone

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
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0075	0.0975	0.3369
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0133	0.2219	0.2482
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.007	0.0881	0.3761
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Schistosoma mansoni	nuclear hormone receptor	0.0133	0.2219	0.8019
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0662	0.2196
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0133	0.2219	1
Schistosoma mansoni	coup transcription factor	0.0133	0.2219	0.8019
Toxoplasma gondii	ABC1 family protein	0.0038	0.0193	0.0437
Brugia malayi	beta-lactamase family protein	0.0038	0.0193	0.0137
Brugia malayi	steroid hormone receptor	0.0133	0.2219	0.2482
Leishmania major	trypanothione reductase	0.0049	0.0438	0.1341
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0193	0.0264
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0346	0.0314
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0063	0.0721	0.3012
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0438	0.1695
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0193	0.0553
Loa Loa (eye worm)	CYP4Cod1	0.0059	0.0645	0.0669
Schistosoma mansoni	nuclear hormone receptor	0.0063	0.0721	0.2416
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0662	0.2167
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0063	0.0721	0.3012
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0133	0.2219	0.8019
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0133	0.2219	0.2482
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0438	0.1341
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0133	0.2219	0.2482
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0193	0.0437
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0133	0.2219	0.249
Mycobacterium tuberculosis	Hypothetical protein	0.0054	0.0532	0.102
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0436	0.8711	1
Onchocerca volvulus		0.0113	0.1799	0.1744
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0662	0.3404
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0133	0.2219	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0193	0.0553
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.007	0.0881	0.3016
Schistosoma mansoni	retinoic acid receptor RXR	0.0133	0.2219	0.8019
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0063	0.0721	0.2416
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0645	0.066
Loa Loa (eye worm)	thymidylate synthase	0.0113	0.1799	0.2004
Loa Loa (eye worm)	hypothetical protein	0.007	0.0881	0.0942
Mycobacterium tuberculosis	Probable reductase	0.0113	0.179	0.3824
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0645	0.0669
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0063	0.0721	0.3012
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0346	0.1267
Echinococcus granulosus	chromobox protein 1	0.0073	0.0938	0.4026
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0125	0.2059	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0193	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.179	0.3824
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.2784	1
Loa Loa (eye worm)	cytochrome P450	0.0032	0.0075	0.001
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0662	0.2738
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0193	0.0147
Brugia malayi	beta-lactamase family protein	0.0038	0.0193	0.0137
Brugia malayi	hypothetical protein	0.0063	0.0721	0.0748
Echinococcus multilocularis	nuclear receptor nhr 48	0.0063	0.0721	0.3012
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0063	0.0721	0.2416
Onchocerca volvulus		0.0038	0.0193	0.0128
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0054	0.0532	0.1689
Echinococcus granulosus	ecdysone induced protein 78C	0.0133	0.2219	1
Onchocerca volvulus		0.0133	0.2219	0.2167
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0113	0.1799	0.8691
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0133	0.2219	0.2482
Brugia malayi	Thioredoxin reductase	0.0049	0.0438	0.0421
Brugia malayi	Dihydrofolate reductase	0.0046	0.0368	0.034
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0193	0.0264
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0193	0.0264
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.2784	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0133	0.2219	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0133	0.2219	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0133	0.2219	0.249
Onchocerca volvulus		0.0038	0.0193	0.0128
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0721	0.2417
Onchocerca volvulus		0.0038	0.0193	0.0128
Mycobacterium ulcerans	thymidylate synthase	0.0113	0.1799	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0133	0.2219	0.8019
Onchocerca volvulus	Protein ultraspiracle homolog	0.0133	0.2219	0.2167
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0193	0.0597
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0046	0.0368	0.1479
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0662	0.3404
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.456	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0133	0.2219	0.249
Echinococcus granulosus	FTZ F1 alpha	0.0133	0.2219	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Brugia malayi	Nuclear hormone receptor E75	0.0063	0.0721	0.0748
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.0645	0.2104
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0193	0.0437
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0133	0.2219	1
Brugia malayi	chromobox protein homolog 3	0.0041	0.0254	0.0208
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0063	0.0721	0.3014
Brugia malayi	nuclear receptor RXR	0.007	0.0881	0.0934
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0346	0.1016
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0254	0.0254
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0193	0.0264
Brugia malayi	ecdysone receptor	0.0063	0.0721	0.0748
Schistosoma mansoni	zinc finger protein	0.0063	0.0721	0.2416
Brugia malayi	nuclear hormone receptor family member odr-7	0.0063	0.0721	0.0748
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0133	0.2219	0.249
Brugia malayi	tailless protein	0.0063	0.0721	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.0438	0.081
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0113	0.179	0.8646
Trichomonas vaginalis	esterase, putative	0.0038	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Leishmania major	cytochrome p450-like protein	0.0059	0.0645	0.2104
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0346	0.1016
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0125	0.2059	0.4423
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.007	0.0881	0.3016
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0133	0.2219	0.8019
Trypanosoma brucei	trypanothione reductase	0.0049	0.0438	0.1341
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0938	0.0938
Mycobacterium ulcerans	lipase LipD	0.0038	0.0193	0.0687
Brugia malayi	hypothetical protein	0.007	0.0881	0.0934
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0133	0.2219	0.8019
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0438	0.043
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0133	0.2219	1
Brugia malayi	hypothetical protein	0.0063	0.0721	0.0748
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0438	0.1695
Leishmania major	hypothetical protein, conserved	0.0038	0.0193	0.0437
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0438	0.0945
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.0938	0.1008
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0063	0.0721	0.0757
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0063	0.0721	0.3012
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0063	0.0721	0.3012
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0046	0.0368	0.1702
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0133	0.2219	0.2482
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0662	0.2738
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0133	0.2219	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Mycobacterium tuberculosis	Probable oxidoreductase	0.0125	0.2059	0.4423
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0193	0.0597
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.179	0.3824
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0438	0.0945
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0193	0.0687
Echinococcus granulosus	dihydrofolate reductase	0.0046	0.0368	0.1369
Brugia malayi	Cytochrome P450 family protein	0.013	0.2152	0.2406
Loa Loa (eye worm)	nuclear hormone receptor	0.0063	0.0721	0.0757
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0059	0.0645	0.3307
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0133	0.2219	0.2482
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0133	0.2219	0.2482
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.2784	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0063	0.0721	0.0748
Brugia malayi	orphan nuclear receptor NR2E1	0.0063	0.0721	0.0748
Brugia malayi	Nuclear hormone receptor-like 1	0.0133	0.2219	0.2482
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0193	0.0264
Trypanosoma brucei	cytochrome P450, putative	0.0059	0.0645	0.2104
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.2219	0.8019
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.006	0.0672	0.2785
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0321	0.0321
Schistosoma mansoni	chromobox protein	0.0073	0.0938	0.3228
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Brugia malayi	dihydrofolate reductase family protein	0.0046	0.0368	0.034
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0063	0.0721	0.0659
Loa Loa (eye worm)	DR-78	0.0063	0.0721	0.0757
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0133	0.2219	0.249
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.179	0.3824
Brugia malayi	Nuclear hormone receptor E75	0.0063	0.0721	0.0748
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0721	0.2417
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0662	0.2167
Brugia malayi	thymidylate synthase	0.0113	0.1799	0.1996
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0193	0.0193
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0133	0.2219	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.2784	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0662	0.1309
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0063	0.0721	0.0659
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0193	0.0264
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0133	0.2219	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Onchocerca volvulus		0.0063	0.0721	0.0659
Chlamydia trachomatis	dihydrofolate reductase	0.0046	0.0368	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0133	0.2219	1
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.2219	0.8019
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0532	0.0532
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0193	0.0687
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0113	0.1799	0.645
Brugia malayi	hypothetical protein	0.0127	0.2099	0.2344
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.179	0.3824
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0063	0.0721	0.3014
Echinococcus granulosus	histone lysine methyltransferase setb	0.0063	0.0721	0.3014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0346	0.1267
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0721	0.2417
Onchocerca volvulus	Bile acid receptor homolog	0.0133	0.2219	0.2167
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0063	0.0721	0.3012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0346	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0193	0.0264
Brugia malayi	nuclear receptor NHR-67	0.0063	0.0721	0.0748
Brugia malayi	nuclear hormone receptor	0.0133	0.2219	0.2482
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.007	0.0881	0.3761
Echinococcus multilocularis	ecdysone induced protein 78C	0.0133	0.2219	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0133	0.2219	0.8019
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0193	0.0437
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0321	0.0256
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0321	0.0321
Loa Loa (eye worm)	cytochrome P450 family protein	0.013	0.2152	0.2413
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0133	0.2219	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0133	0.2219	0.2167
Echinococcus multilocularis	thymidylate synthase	0.0113	0.1799	0.8043
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0254	0.0218
Brugia malayi	glutathione reductase	0.0049	0.0438	0.0421
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0125	0.2059	0.4423
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0193	0.0147
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0645	0.066
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6462	0.7399
Brugia malayi	nuclear hormone receptor	0.0063	0.0721	0.0748
Brugia malayi	nuclear receptor RXR	0.0063	0.0721	0.0748
Brugia malayi	beta-lactamase	0.0038	0.0193	0.0137
Schistosoma mansoni	nuclear receptor nhr-48	0.0063	0.0721	0.2416
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0063	0.0721	0.3012
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.179	0.3824
Brugia malayi	Pre-SET motif family protein	0.0436	0.8711	1
Brugia malayi	Nuclear hormone receptor-like 1	0.007	0.0881	0.0934
Brugia malayi	nuclear receptor NHR-88	0.0063	0.0721	0.0748
Brugia malayi	conserved hypotetical protein	0.0063	0.0721	0.0748
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0133	0.2219	0.2482
Schistosoma mansoni	nuclear receptor	0.0063	0.0721	0.2416
Echinococcus granulosus	chromobox protein 1	0.0073	0.0938	0.4026
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0645	0.0669
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0438	0.1341
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0133	0.2219	0.249
Brugia malayi	hypothetical protein	0.007	0.0881	0.0934
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0133	0.2219	0.8019
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0193	0.0264
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0133	0.2219	0.2482
Brugia malayi	nuclear receptor NHR-88	0.0133	0.2219	0.2482
Brugia malayi	ecdysteroid receptor	0.0133	0.2219	0.2482
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0193	0.0193
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0133	0.2219	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.007	0.0881	0.0942
Loa Loa (eye worm)	hypothetical protein	0.007	0.0881	0.0942
Brugia malayi	Nuclear hormone receptor-like 1	0.007	0.0881	0.0934
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0133	0.2219	0.2482
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0193	0.0443
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0113	0.1799	0.3844
Echinococcus granulosus	thymidylate synthase	0.0113	0.1799	0.8043
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0938	0.4026
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0254	0.019
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0438	0.043
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2219	0.249
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0133	0.2219	0.2482
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.2784	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0721	0.0757
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0063	0.0721	0.0757
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0133	0.2219	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0063	0.0721	0.0748
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0193	0.0137
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0133	0.2219	0.8019
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0133	0.2219	0.8019
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0662	0.3404
Brugia malayi	hypothetical protein	0.0054	0.0532	0.053
Echinococcus multilocularis	FTZ F1 alpha	0.0133	0.2219	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.2784	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0063	0.0721	0.3012
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0063	0.0721	0.3012
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.007	0.0881	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Onchocerca volvulus		0.0075	0.0975	0.0915
Plasmodium vivax	SET domain protein, putative	0.0063	0.0721	0.2037
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0193	0.0687
Schistosoma mansoni	dihydrofolate reductase	0.0046	0.0368	0.1097
Echinococcus granulosus	thyroid hormone receptor alpha	0.0063	0.0721	0.3012
Echinococcus multilocularis	dihydrofolate reductase	0.0046	0.0368	0.1369
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0662	0.2196
Trichomonas vaginalis	set domain proteins, putative	0.0497	1	1
Brugia malayi	Heterochromatin protein 1	0.0073	0.0938	0.0999
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0346	0.1267
Loa Loa (eye worm)	dihydrofolate reductase	0.0046	0.0368	0.0349
Brugia malayi	Steroid receptor seven-up type 2	0.0133	0.2219	0.2482
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0133	0.2219	0.249
Loa Loa (eye worm)	hypothetical protein	0.007	0.0881	0.0942
Loa Loa (eye worm)	hypothetical protein	0.007	0.0881	0.0942
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0938	0.0938
Echinococcus granulosus	nuclear receptor nhr 48	0.0063	0.0721	0.3012
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0133	0.2219	0.2482
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0193	0.0687
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0046	0.0368	0.0654
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.0645	0.2104
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0193	0.0264
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0346	0.1267
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0938	0.4026
Schistosoma mansoni	nuclear receptor	0.0063	0.0721	0.2416
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Onchocerca volvulus		0.0063	0.0721	0.0659
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.2219	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0193	0.0147
Brugia malayi	photoreceptor-specific nuclear receptor	0.0133	0.2219	0.2482
Schistosoma mansoni	hypothetical protein	0.0054	0.0537	0.173
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0254	0.0254
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0193	0.0443
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0133	0.2219	0.2482
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0063	0.0721	0.2385
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0346	0.0324
Brugia malayi	Pre-SET motif family protein	0.0063	0.0721	0.0748
Schistosoma mansoni	chromobox protein	0.0073	0.0938	0.3228
Loa Loa (eye worm)	steroid hormone receptor	0.0133	0.2219	0.249
Schistosoma mansoni	nuclear hormone receptor	0.0063	0.0721	0.2416

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 7 nM	Inhibition of the entry of HIV-1 reporter virus (JrF1) into U-87 cells	ChEMBL.	11585438
IC50 (functional)	= 7 nM	Inhibition of the entry of HIV-1 reporter virus (JrF1) into U-87 cells	ChEMBL.	11585438
Ki (binding)	= 20 nM	Binding affinity towards C-C chemokine receptor type 5	ChEMBL.	11585438
Ki (binding)	= 20 nM	Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)	ChEMBL.	14521412
Ki (binding)	= 20 nM	Binding affinity towards C-C chemokine receptor type 5	ChEMBL.	11585438
Ki (binding)	= 20 nM	Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)	ChEMBL.	14521412

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11585438

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: CHEMBL112659
PubChem: 483744

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 186135