Detailed information for compound 333777

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 525.512 | Formula: C29H34Cl2N4O
  • H donors: 1 H acceptors: 2 LogP: 6.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc2c(c1)cccn2)NCC1CCCN(C1)C1CCN(CC1)CCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C29H34Cl2N4O/c30-26-7-5-21(17-27(26)31)9-14-34-15-10-25(11-16-34)35-13-2-3-22(20-35)19-33-29(36)24-6-8-28-23(18-24)4-1-12-32-28/h1,4-8,12,17-18,22,25H,2-3,9-11,13-16,19-20H2,(H,33,36)
  • InChiKey: YCGKTGCKPZIUKH-UHFFFAOYSA-N  


Substructure search Similarity search

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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 3 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Loa Loa (eye worm) oxidoreductase 0.0443 0.6163 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0128 0.1731 0.173
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Trypanosoma brucei aldo/keto reductase, putative 0.0128 0.1731 0.2779
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.027 0.0398
Mycobacterium ulcerans oxidoreductase 0.0443 0.6163 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0443 0.6163 1
Plasmodium falciparum aldehyde reductase, putative 0.0128 0.1731 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0071 0.007
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0042
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Onchocerca volvulus 0.0443 0.6163 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0128 0.1731 0.2779
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0071 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0025 0.0038
Loa Loa (eye worm) oxidoreductase 0.0443 0.6163 1
Trypanosoma cruzi aldo-keto reductase 0.0443 0.6163 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0128 0.1731 0.2779
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0182 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0071 0.0075
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0071 0.0071
Echinococcus multilocularis aldo keto reductase 0.0443 0.6163 0.6162
Loa Loa (eye worm) hypothetical protein 0.0018 0.0182 0.0293
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.081 0.1279
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.5896 0.5895
Entamoeba histolytica hypothetical protein 0.0037 0.0449 0.069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0071 0.0113
Echinococcus multilocularis aldo keto reductase 0.0443 0.6163 0.6162
Echinococcus granulosus aldo keto reductase 0.0443 0.6163 0.6162
Onchocerca volvulus 0.0443 0.6163 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.027 0.0398
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0071 0.007
Echinococcus granulosus FTZ F1 alpha 0.001 0.0071 0.007
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0128 0.1731 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0025 0.0023
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.04 0.061
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0071 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0071 0.0113
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Brugia malayi AMP-binding enzyme family protein 0.0025 0.027 0.0435
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.027 0.0398
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0412 0.0639
Onchocerca volvulus 0.0051 0.0646 0.1011
Loa Loa (eye worm) histone methyltransferase 0.001 0.007 0.011
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0412 0.0665
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0182 0.0921
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0025 0.0023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0592 0.059
Loa Loa (eye worm) oxidoreductase 0.0443 0.6163 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0128 0.1731 0.2787
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.027 0.0398
Brugia malayi Pre-SET motif family protein 0.0032 0.0369 0.0596
Schistosoma mansoni kinase 0.005 0.0625 0.0625
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0011 0.0072 0.0076
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0071 0.0071
Echinococcus granulosus expressed protein 0.0035 0.0412 0.041
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0071 0.0113
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0.0072 0.5
Schistosoma mansoni potassium channel beta 0.0128 0.1731 0.1731
Trypanosoma brucei polo-like protein kinase 0.0098 0.1303 0.2082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0071 0.0113
Loa Loa (eye worm) oxidoreductase 0.0443 0.6163 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0071 0.0071
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Toxoplasma gondii aldo-keto reductase 0.0128 0.1731 0.2779
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0011 0.0072 0.0076
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0071 0.0071
Brugia malayi hypothetical protein 0.0037 0.0449 0.0726
Onchocerca volvulus 0.001 0.0071 0.0075
Trichomonas vaginalis rotamase, putative 0.0034 0.04 0.062
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.027 0.0398
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0607 0.0957
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0607 0.0957
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0002 0.0002
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Schistosoma mansoni nuclear hormone receptor 0.001 0.0071 0.0071
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.027 0.0435
Schistosoma mansoni thyroid hormone receptor 0.001 0.0071 0.0071
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0369 0.056
Onchocerca volvulus 0.0443 0.6163 1
Brugia malayi Pre-SET motif family protein 0.0216 0.2972 0.4821
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0071 0.0071
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0025 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0592 0.059
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0025 0.0023
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.007 0.0068
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.081 0.1279
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0592 0.0958
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0592 0.0592
Plasmodium falciparum aldo-keto reductase, putative 0.0128 0.1731 1
Brugia malayi nuclear hormone receptor 0.001 0.0071 0.0113
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0734 0.1155
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Onchocerca volvulus 0.0246 0.3392 0.5485
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0369 0.0369
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.027 0.0398
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Onchocerca volvulus 0.0025 0.027 0.0398
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0071 0.0071
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0443 0.6163 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.1303 0.2082
Trichomonas vaginalis aldo/keto reductase, putative 0.0443 0.6163 1
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.1303 0.1303
Brugia malayi nuclear receptor NHR-88 0.001 0.0071 0.0113
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0025 0.0023
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0071 0.007
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.081 0.081
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Mycobacterium tuberculosis Conserved protein 0.0128 0.1731 0.2795
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0025 0.0038
Schistosoma mansoni pol-related 0.0443 0.6163 0.6163
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0369 0.0369
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0449 0.0447
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0098 0.1303 0.1302
Giardia lamblia Aldose reductase 0.0443 0.6163 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0071 0.007
Entamoeba histolytica alcohol dehydrogenase, putative 0.0128 0.1731 0.2779
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0128 0.1731 0.2787
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0369 0.0369
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0071 0.007
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0128 0.1731 0.2807
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0182 0.0278
Echinococcus multilocularis aldo keto reductase 0.0443 0.6163 0.6162
Loa Loa (eye worm) oxidoreductase 0.0007 0.0025 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0071 0.0113
Entamoeba histolytica aldose reductase, putative 0.0443 0.6163 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0071 0.0113
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0042
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.081 0.1299
Entamoeba histolytica hypothetical protein 0.0037 0.0449 0.069
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0168 0.0255
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0044 0.0042
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0443 0.6163 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.081 0.1279
Loa Loa (eye worm) hypothetical protein 0.0018 0.0182 0.0293
Schistosoma mansoni cpg binding protein 0.0031 0.0367 0.0367
Leishmania major prostaglandin f synthase, putative 0.0443 0.6163 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.081 0.0809
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0098 0.1303 0.1302
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0071 0.0071
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0071 0.007
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Loa Loa (eye worm) hypothetical protein 0.0018 0.0182 0.0293
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0071 0.0113
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.081 0.1279
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0071 0.007
Trypanosoma brucei prostaglandin f synthase 0.0443 0.6163 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0025 0.0023
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0443 0.6163 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0071 0.0113
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0072 0.0076
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0443 0.6163 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0098 0.1303 0.2082
Echinococcus granulosus hypothetical protein 0.0443 0.6163 0.6162
Echinococcus multilocularis cpg binding protein 0.0031 0.0367 0.0365
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0646 0.0646
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.081 0.0809
Echinococcus multilocularis tumor protein p63 0.035 0.4858 0.4857
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0072 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Brugia malayi AMP-binding enzyme family protein 0.0025 0.027 0.0435
Schistosoma mansoni cpg binding protein 0.003 0.0343 0.0343
Onchocerca volvulus 0.0032 0.0369 0.056
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0071 0.0075
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0025 0.0023
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0071 0.0113
Trypanosoma brucei aldo-keto reductase, putative 0.0443 0.6163 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0369 0.0369
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.04 0.061
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Echinococcus multilocularis aldo keto reductase 0.0443 0.6163 0.6162
Schistosoma mansoni microtubule-associated protein tau 0.0716 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0071 0.007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0168 0.0255
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Brugia malayi steroid hormone receptor 0.001 0.0071 0.0113
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0071 0.007
Schistosoma mansoni thyroid hormone receptor 0.001 0.0071 0.0071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0007 0.0025 0.0038
Entamoeba histolytica hypothetical protein 0.0037 0.0449 0.069
Loa Loa (eye worm) hypothetical protein 0.0025 0.027 0.0435
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.027 0.0398
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0443 0.6163 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0025 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0071 0.0113
Echinococcus multilocularis aldehyde reductase 0.0315 0.4356 0.4355
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.027 0.0398
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0071 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Onchocerca volvulus 0.0128 0.1731 0.2779
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0168 0.0255
Mycobacterium leprae Possible oxidoreductase 0.0128 0.1731 0.2779
Echinococcus granulosus voltage gated potassium channel subunit 0.0128 0.1731 0.173
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0071 0.007
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0025 0.0023
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.04 0.061
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Leishmania major aldo-keto reductase-like protein 0.0443 0.6163 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0592 0.0958
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0071 0.0071
Onchocerca volvulus 0.0443 0.6163 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0044 0.0044
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0025 0.0024
Brugia malayi serine/threonine-protein kinase plk-2 0.0098 0.1303 0.2112
Brugia malayi NADH-dependent xylose reductase 0.0128 0.1731 0.2807
Echinococcus multilocularis voltage gated potassium channel subunit 0.0128 0.1731 0.173
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0025 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.027 0.042
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0369 0.0367
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Loa Loa (eye worm) hypothetical protein 0.0025 0.027 0.0435
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0071 0.007
Echinococcus granulosus aldehyde reductase 0.0315 0.4356 0.4355
Brugia malayi hypothetical protein 0.0313 0.4337 0.7036
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0071 0.007
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0025 0.0038
Echinococcus granulosus aldo keto reductase 0.0443 0.6163 0.6162
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0044 0.0042
Loa Loa (eye worm) oxidoreductase 0.0443 0.6163 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0369 0.0367
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0071 0.007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.007 0.0068
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0071 0.0113
Onchocerca volvulus 0.0443 0.6163 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0071 0.007
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.027 0.0398
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0071 0.0075
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0344 0.0342
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Schistosoma mansoni aldo-keto reductase 0.0443 0.6163 0.6163
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0068 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0071 0.0113
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0443 0.6163 0.6162
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.081 0.1279
Echinococcus granulosus tumor protein p63 0.035 0.4858 0.4857
Mycobacterium leprae Conserved hypothetical protein 0.0315 0.4356 0.7055
Mycobacterium ulcerans hypothetical protein 0.0128 0.1731 0.2779
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0128 0.1731 0.2779
Mycobacterium tuberculosis Probable oxidoreductase 0.0443 0.6163 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0071 0.0113
Loa Loa (eye worm) hypothetical protein 0.0032 0.0369 0.0596
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0025 0.0023
Trichomonas vaginalis set domain proteins, putative 0.0246 0.3392 0.549
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0343 0.0554
Schistosoma mansoni aldo-keto reductase 0.0443 0.6163 0.6163
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0443 0.6163 1
Trichomonas vaginalis rotamase, putative 0.0035 0.0412 0.0639
Plasmodium vivax aldehyde reductase, putative 0.0128 0.1731 1
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.04 0.061
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0098 0.1303 0.2082
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0443 0.6163 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.027 0.0435
Loa Loa (eye worm) hypothetical protein 0.0051 0.0646 0.1046
Echinococcus multilocularis microtubule associated protein 2 0.0716 1 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0369 0.2013
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.027 0.0398
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0829 0.0829
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0098 0.1303 0.2112
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0168 0.0255
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.027 0.0398
Entamoeba histolytica alcohol dehydrogenase, putative 0.0128 0.1731 0.2779
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0011 0.0072 0.0076
Giardia lamblia Aldose reductase 0.0443 0.6163 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0071 0.007
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.1731 0.2787
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0182 0.0921
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.04 0.061
Schistosoma mansoni coup transcription factor 0.001 0.0071 0.0071
Trichomonas vaginalis aldo-keto reductase, putative 0.0128 0.1731 0.2787
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0071 0.0113
Mycobacterium ulcerans hypothetical protein 0.0025 0.027 0.0398
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.04 0.061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0071 0.0113
Onchocerca volvulus 0.003 0.0343 0.0518
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0025 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Toxoplasma gondii aldose reductase, putative 0.0443 0.6163 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0098 0.1303 0.2082
Loa Loa (eye worm) hypothetical protein 0.001 0.0071 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0071 0.0113
Brugia malayi ecdysteroid receptor 0.001 0.0071 0.0113
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0071 0.0071
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Echinococcus granulosus aldo keto reductase 0.0443 0.6163 0.6162
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0071 0.0113
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.027 0.0398
Schistosoma mansoni hypothetical protein 0.0424 0.5896 0.5896
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.027 0.0398
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0128 0.1731 0.2779
Schistosoma mansoni hypothetical protein 0.0037 0.0449 0.0449
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0025 0.0023
Entamoeba histolytica hypothetical protein 0.0037 0.0449 0.069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0592 0.059
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.027 0.042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0592 0.059
Trichomonas vaginalis aldo-keto reductase, putative 0.0443 0.6163 1
Onchocerca volvulus 0.0443 0.6163 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0025 0.0024
Schistosoma mansoni rotamase 0.0035 0.0412 0.0412
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0182 0.0256
Schistosoma mansoni cpg binding protein 0.0031 0.0367 0.0367
Echinococcus granulosus cpg binding protein 0.0031 0.0367 0.0365
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0071 0.0113
Loa Loa (eye worm) hypothetical protein 0.0018 0.0182 0.0293
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.027 0.0398
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0071 0.0113
Loa Loa (eye worm) hypothetical protein 0.0313 0.4337 0.7036
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0018 0.0182 0.0293
Trypanosoma cruzi aldo/keto reductase, putative 0.0443 0.6163 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0443 0.6163 0.6162
Onchocerca volvulus Serine\/threonine kinase homolog 0.0098 0.1303 0.2082
Entamoeba histolytica aldose reductase, putative 0.0443 0.6163 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0592 0.0592
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0443 0.6163 1
Onchocerca volvulus 0.0313 0.4337 0.7024
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0443 0.6163 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0443 0.6163 1
Echinococcus granulosus dnaJ subfamily B 0.0424 0.5896 0.5895
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0369 0.0367
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.2972 0.4821
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0449 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0071 0.0113
Trichomonas vaginalis aldo/keto reductase, putative 0.0443 0.6163 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0128 0.1731 0.2787
Entamoeba histolytica aldose reductase, putative 0.0443 0.6163 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1303 0.209
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0002 0.0002
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0025 0.0038
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.027 0.0398
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0071 0.007
Brugia malayi CXXC zinc finger family protein 0.003 0.0343 0.0554
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0443 0.6163 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0412 0.0665
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0071 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0071 0.0113
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0449 0.0449
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0128 0.1731 0.2807
Echinococcus multilocularis expressed protein 0.0035 0.0412 0.041

Activities

Activity type Activity value Assay description Source Reference
Emax (functional) = 2 % In vitro percent increase over basal binding of [35S]-GTP-gamma S against C-C chemokine receptor type 3 at 10 uM ChEMBL. 15908209
Emax (functional) = 2 % In vitro percent increase over basal binding of [35S]-GTP-gamma S against C-C chemokine receptor type 3 at 10 uM ChEMBL. 15908209
Ki (functional) = 180 nM In vitro binding activity against C-C chemokine receptor type 3 using [35S]-GTP-gammaS, as radioligand ChEMBL. 15908209
Ki (functional) = 180 nM In vitro binding activity against C-C chemokine receptor type 3 using [35S]-GTP-gammaS, as radioligand ChEMBL. 15908209

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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