TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.952 | Formula: C24H29ClN2O2
H donors: 1 H acceptors: 2 LogP: 4.89 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N[C@@H](C(=O)N1CCC(CC1)c1ccc(cc1)Cl)C(C)C)Cc1ccccc1
InChi: 1S/C24H29ClN2O2/c1-17(2)23(26-22(28)16-18-6-4-3-5-7-18)24(29)27-14-12-20(13-15-27)19-8-10-21(25)11-9-19/h3-11,17,20,23H,12-16H2,1-2H3,(H,26,28)/t23-/m1/s1
InChiKey: NTQWFDUPBRGKKM-HSZRJFAPSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 1	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	chemokine (C-C motif) receptor 1	355 aa	289 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0258	0.1394	1
Schistosoma mansoni	hypothetical protein	0.0166	0.0885	0.2379
Brugia malayi	'Paired box' domain containing protein	0.0029	0.0129	0.0147
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0063	0.0058
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0013	0.0039	0.2041
Mycobacterium ulcerans	aminopeptidase N PepN	0.0037	0.0171	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0096	0.0108
Schistosoma mansoni	hypothetical protein	0.0036	0.0168	0.044
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0016	0.0012
Onchocerca volvulus		0.0023	0.0096	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0099	0.0113
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0058	0.0058
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0013	0.0039	0.0036
Onchocerca volvulus		0.0028	0.0123	0.0141
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0037	0.0171	0.0448
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0096	0.2028
Mycobacterium tuberculosis	Probable aminotransferase	0.1818	1	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0162	0.3513
Echinococcus granulosus	expressed conserved protein	0.0082	0.0423	0.113
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0022	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0022	0.002
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.1818	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0096	0.0096
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0022	0.0046
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0022	0.002
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0258	0.1394	0.1389
Schistosoma mansoni	hypothetical protein	0.0166	0.0885	0.2379
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0022	0.0039
Schistosoma mansoni	hypothetical protein	0.0036	0.0168	0.044
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0096	0.0108
Onchocerca volvulus		0.0029	0.0129	0.0147
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0022	0.0046
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0039	0.004
Brugia malayi	hypothetical protein	0.0013	0.0039	0.004
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0096	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0022	0.002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0022	0.002
Echinococcus multilocularis	microtubule associated protein 2	0.0677	0.3703	0.8497
Echinococcus granulosus	cpg binding protein	0.003	0.0132	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0063	0.007
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0024	0.0099	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0129	0.0147
Schistosoma mansoni	paired box protein pax-6	0.0029	0.0129	0.0333
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0129	0.0147
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0096	0.2028
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0022	0.0039
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0022	0.0046
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0096	0.2028
Toxoplasma gondii	aminopeptidase n, putative	0.0013	0.0039	0.0243
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0005	0.0005
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0022	0.0039
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0258	0.1394	0.1389
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0022	0.002
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0063	0.007
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0022	0.0046
Trypanosoma brucei	Aminopeptidase M1, putative	0.0037	0.0171	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0022	0.0046
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0448
Mycobacterium ulcerans	hypothetical protein	0.1818	1	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0005	0.0005
Brugia malayi	ecdysteroid receptor	0.001	0.0022	0.002
Loa Loa (eye worm)	aminopeptidase N	0.0037	0.0171	0.0198
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0024	0.0099	0.0216
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0022	0.0046
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0013	0.0039	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0452	0.0534
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0037	0.0171	0.0168
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0022	0.0046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0005	0.0005
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0022	0.002
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0099	0.0113
Toxoplasma gondii	aminopeptidase N, putative	0.0013	0.0039	0.0243
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0176	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0222	0.026
Echinococcus multilocularis	cpg binding protein	0.003	0.0132	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0039	0.004
Onchocerca volvulus		0.0029	0.0129	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0129	0.0147
Schistosoma mansoni	patched 1	0.0038	0.0176	0.0461
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0258	0.1394	0.166
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0258	0.1394	0.1394
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0022	0.0046
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0022	0.002
Brugia malayi	'Paired box' domain containing protein	0.0029	0.0129	0.0147
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0096	0.5473
Echinococcus multilocularis	Niemann Pick C1 protein	0.0126	0.066	0.1505
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0006	0.0002
Echinococcus granulosus	paired box protein pax 1	0.0029	0.0129	0.0333
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0096	0.0091
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0013	0.0039	0.0091
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0037	0.0171	1
Echinococcus multilocularis	geminin	0.0166	0.0885	0.2021
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0063	0.0419
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0022	0.002
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0022	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0022	0.002
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0099	0.0113
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0096	0.0091
Schistosoma mansoni	cpg binding protein	0.0028	0.0123	0.0319
Brugia malayi	nuclear receptor NHR-88	0.001	0.0022	0.002
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0022	0.002
Brugia malayi	'Paired box' domain containing protein	0.0029	0.0129	0.0147
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.0036	0.0168	0.044
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0063	0.0063
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0013	0.0039	0.2041
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0063	0.007
Brugia malayi	paired box pox-meso protein	0.0029	0.0129	0.0147
Schistosoma mansoni	paired box protein pax-6	0.0029	0.0129	0.0333
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0022	0.0039
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0022	0.002
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0016	0.0028
Brugia malayi	Peptidase family M1 containing protein	0.0037	0.0171	0.0198
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0022	0.002
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0022	0.0046
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Schistosoma mansoni	paired box protein pax-1-related	0.0029	0.0129	0.0333
Schistosoma mansoni	hypothetical protein	0.0036	0.0168	0.044
Echinococcus multilocularis	paired box protein pax 1	0.0029	0.0129	0.0283
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0058	0.0058
Onchocerca volvulus		0.0013	0.0039	0.004
Echinococcus multilocularis	Niemann Pick C1 protein	0.0088	0.0452	0.1027
Echinococcus multilocularis	protein dispatched 1	0.0043	0.0205	0.0459
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0022	0.002
Schistosoma mansoni	coup transcription factor	0.001	0.0022	0.0046
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0258	0.1394	0.1389
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0096	0.0108
Entamoeba histolytica	aminopeptidase, putative	0.0037	0.0171	0.3705
Echinococcus granulosus	Niemann Pick C1 protein	0.0088	0.0452	0.1209
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0016	0.0024
Echinococcus multilocularis	expressed conserved protein	0.0082	0.0423	0.096
Brugia malayi	vab-3 gene.	0.0029	0.0129	0.0147
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0022	0.002
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0022	0.0046
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0022	0.0039
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0258	0.1394	0.1394
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0005	0.0002
Echinococcus multilocularis	Aminotransferase class III	0.0258	0.1394	0.3191
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0022	0.002
Trypanosoma brucei	aminopeptidase, putative	0.0013	0.0039	0.2041
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0381
Echinococcus granulosus	geminin	0.0166	0.0885	0.2379
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0096	0.0091
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0013	0.0039	0.004
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0037	0.0171	0.0168
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0448
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0448
Onchocerca volvulus	Retinal homeobox protein Rx homolog	0.0029	0.0129	0.0147
Echinococcus granulosus	paired box gene 3/7 (eyeless, eyegone, twin of eyeless)	0.0029	0.0129	0.0333
Onchocerca volvulus		0.0037	0.0171	0.0198
Brugia malayi	Peptidase family M1 containing protein	0.0037	0.0171	0.0198
Brugia malayi	hypothetical protein	0.0037	0.0171	0.0198
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.1818	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0381
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0171	1
Brugia malayi	hypothetical protein	0.0035	0.0162	0.0188
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0096	0.0096
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0123	0.0141
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0022	0.0046
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0006	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0096	0.0091
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0162	0.0425
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0022	0.002
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0381
Schistosoma mansoni	paired box protein pax-6	0.0029	0.0129	0.0333
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0058	0.0058
Echinococcus multilocularis	dnaJ subfamily B	0.0401	0.2182	0.5001
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0005	0.0005
Entamoeba histolytica	hypothetical protein	0.0035	0.0162	0.3513
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0005	0.0005
Echinococcus multilocularis	paired box protein pax 6	0.0029	0.0129	0.0283
Loa Loa (eye worm)	pax transcription factor protein 2	0.1522	0.8371	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0022	0.0046
Echinococcus multilocularis	sterol regulatory element binding protein	0.0038	0.0176	0.0391
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0022	0.002
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0005	0.0005
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0258	0.1394	0.1394
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0022	0.0046
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.1818	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0024	0.0099	0.5684
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0013	0.0039	0.0091
Plasmodium vivax	ornithine aminotransferase, putative	0.0258	0.1394	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Toxoplasma gondii	aminopeptidase N protein	0.0013	0.0039	0.0243
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0022	0.002
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0258	0.1394	0.1389
Brugia malayi	steroid hormone receptor	0.001	0.0022	0.002
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0258	0.1394	1
Echinococcus granulosus	dnaJ subfamily B	0.0401	0.2182	0.5886
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0006	0.0002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0262	0.185
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0037	0.0171	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0096	0.0091
Trypanosoma brucei	Aminopeptidase M1, putative	0.0037	0.0171	1
Brugia malayi	CHE-14 protein	0.0038	0.0176	0.0204
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0088	0.0452	1
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0258	0.1394	0.1389
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0381
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0022	0.002
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0096	0.5473
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0022	0.0046
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0013	0.0039	0.2041
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0063	0.007
Trypanosoma cruzi	aminopeptidase, putative	0.0037	0.0171	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0022	0.0039
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0005	0.0005
Echinococcus granulosus	ornithine aminotransferase	0.0258	0.1394	0.3755
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0795	0.4357	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0162	0.3513
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0013	0.0039	0.0243
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0096	0.0091
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0258	0.1394	0.5
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0089	0.046	0.1229
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0096	0.0091
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0013	0.0039	0.0091
Echinococcus granulosus	sterol regulatory element binding protein	0.0038	0.0176	0.0461
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0013	0.0039	0.004
Brugia malayi	Niemann-Pick C1 protein precursor	0.0088	0.0452	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0129	0.0147
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0448
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0013	0.0039	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0022	0.002
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0039	0.004
Echinococcus multilocularis	paired box protein pax 6	0.0029	0.0129	0.0283
Onchocerca volvulus		0.1522	0.8371	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0037	0.0171	1
Onchocerca volvulus		0.001	0.0022	0.002
Echinococcus granulosus	Niemann Pick C1 protein	0.0126	0.066	0.1772
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0258	0.1394	0.1389
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Mycobacterium ulcerans	aminopeptidase N PepN	0.0013	0.0039	0.0034
Schistosoma mansoni	cpg binding protein	0.003	0.0132	0.0342
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0022	0.0046
Brugia malayi	nuclear hormone receptor	0.001	0.0022	0.002
Plasmodium falciparum	ornithine aminotransferase	0.0258	0.1394	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0096	0.0091
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0005	0.0002
Echinococcus multilocularis	protein patched	0.0038	0.0176	0.0391
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0022	0.002
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0096	0.0108
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0013	0.0039	0.2041
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0258	0.1394	0.3755
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0022	0.0039
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0096	0.5473
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0176	0.0204
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0096	0.0108
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0058	0.0058
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0006	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0022	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0022	0.002
Trypanosoma cruzi	aminopeptidase, putative	0.0013	0.0039	0.2041
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0037	0.0171	1
Echinococcus multilocularis	ornithine aminotransferase	0.0258	0.1394	0.3191
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0022	0.0046
Brugia malayi	Peptidase family M1 containing protein	0.0013	0.0039	0.004
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0038	0.0176	0.0204
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0258	0.1394	0.1394
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0096	0.0091
Echinococcus granulosus	paired box protein pax 6	0.0029	0.0129	0.0333
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0258	0.1394	0.1389
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.002
Echinococcus granulosus	paired box protein pax 6	0.0029	0.0129	0.0333
Loa Loa (eye worm)	vab-3	0.0029	0.0129	0.0147
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0297	0.079
Schistosoma mansoni	hypothetical protein	0.0401	0.2182	0.5886
Loa Loa (eye worm)	TATA binding protein associated factor	0.0013	0.0039	0.004
Brugia malayi	Pax transcription factor protein 2	0.1522	0.8371	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0022	0.002
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0022	0.0039
Echinococcus granulosus	microtubule associated protein 2	0.0677	0.3703	1
Brugia malayi	paired box protein	0.0029	0.0129	0.0147
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0037	0.0171	0.0381
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0022	0.002
Echinococcus granulosus	aminopeptidase N	0.0037	0.0171	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0063	0.007
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0013	0.0039	0.0091
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0096	0.0091
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0013	0.0039	0.2041
Schistosoma mansoni	microtubule-associated protein tau	0.0677	0.3703	1
Schistosoma mansoni	cpg binding protein	0.003	0.0132	0.0342
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0037	0.0171	0.0381
Loa Loa (eye worm)	paired box protein	0.0029	0.0129	0.0147
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0123	0.0141
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0162	0.0361
Schistosoma mansoni	hypothetical protein	0.0035	0.0162	0.0425
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0022	0.0046
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0013	0.0039	0.0243
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0162	0.0425
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0022	0.0046
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0063	0.0419
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0013	0.0039	0.0243
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0005	0.0005
Onchocerca volvulus		0.0037	0.0171	0.0198
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0022	0.002
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0006	0.0003
Echinococcus multilocularis	ornithine aminotransferase	0.0258	0.1394	0.3191
Echinococcus multilocularis	paired box protein pax 6	0.0029	0.0129	0.0283
Brugia malayi	Gooseberry protein	0.0029	0.0129	0.0147
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0022	0.0039
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0013	0.0039	0.0091
Echinococcus granulosus	Protein patched homolog 1	0.0038	0.0176	0.0461
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0013	0.0039	0.0091
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0015	0.0012
Brugia malayi	TATA binding protein associated factor	0.0013	0.0039	0.004
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0013	0.0039	0.2041
Mycobacterium ulcerans	L-lysine aminotransferase	0.0258	0.1394	0.1389
Entamoeba histolytica	hypothetical protein	0.0035	0.0162	0.3513
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0258	0.1394	0.1389
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0037	0.0171	0.0448
Echinococcus multilocularis	aminopeptidase N	0.0037	0.0171	0.0381
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0022	0.0046
Echinococcus granulosus	Aminotransferase class III	0.0258	0.1394	0.3755
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0022	0.0046

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 30 nM	Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells	ChEMBL.	23075267

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: CHEMBL2180496

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1718263