Detailed information for compound 1721806

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(NC(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)
  • InChiKey: NTQWFDUPBRGKKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 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

Bibliographic References

1 literature reference was collected for this gene.

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