Detailed information for compound 135641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 631.868 | Formula: C37H49N3O4S
  • H donors: 0 H acceptors: 3 LogP: 7.53 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N(C1CCN(CC1)CC[C@@H](c1ccccc1)CN(S(=O)(=O)c1ccccc1)C)CC1CCCCC1)OCc1ccccc1
  • InChi: 1S/C37H49N3O4S/c1-38(45(42,43)36-20-12-5-13-21-36)29-34(33-18-10-4-11-19-33)22-25-39-26-23-35(24-27-39)40(28-31-14-6-2-7-15-31)37(41)44-30-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,34-35H,2,6-7,14-15,22-30H2,1H3/t34-/m1/s1
  • InChiKey: NANYKPSEZCGDPM-UUWRZZSWSA-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 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0552 0.0588
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0231
Plasmodium falciparum glutathione reductase 0.0091 0.2715 1
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0552 0.0588
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0552 0.0588
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.2883 0.3098
Schistosoma mansoni hypothetical protein 0.0023 0.022 0.0214
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.2883 0.3102
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0545 0.2731
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0552 0.0594
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0235 0.0273
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0018
Schistosoma mansoni rab6-interacting 0.0023 0.022 0.0214
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0552 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0552 0.0588
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0545 0.0895
Brugia malayi hypothetical protein 0.0023 0.022 0.0237
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0552 0.0588
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.2733 0.2936
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0545 0.0895
Echinococcus multilocularis protein dispatched 1 0.0047 0.1104 0.1182
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1937 0.2079
Schistosoma mansoni loxhd1 0.0023 0.022 0.0214
Schistosoma mansoni hypothetical protein 0.0039 0.0838 0.0832
Toxoplasma gondii thioredoxin reductase 0.0091 0.2715 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0552 0.0546
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.438 0.471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2717 0.2712
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0662 0.0712
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1937 0.1932
Brugia malayi hypothetical protein 0.0023 0.022 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0552 0.0594
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0545 0.1942
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0207 0.6968 0.8915
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2717 0.2918
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0552 0.0594
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0545 0.0895
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0135 0.4332 0.4658
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.023 0.7813 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0332 0.115
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2717 0.2918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0552 0.0588
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0552 0.0594
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0235 0.1109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0006 0.0007
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0552 0.0546
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0545 0.2731
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4291 0.4288
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0545 0.0895
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4291 0.4288
Loa Loa (eye worm) hypothetical protein 0.0023 0.0235 0.0246
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0552 0.0588
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0552 0.0594
Plasmodium vivax glutathione reductase, putative 0.0091 0.2715 1
Leishmania major hypothetical protein, conserved 0.0026 0.0332 0.0392
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0235 0.1109
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1249 0.1343
Brugia malayi Cytochrome P450 family protein 0.0056 0.1437 0.1546
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0552 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2717 0.2712
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2717 0.2918
Schistosoma mansoni hypothetical protein 0.0035 0.0662 0.0656
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0545 0.0587
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Loa Loa (eye worm) hypothetical protein 0.0026 0.0332 0.0351
Schistosoma mansoni hypothetical protein 0.0039 0.0838 0.0832
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0552 0.0588
Mycobacterium ulcerans hypothetical protein 0.0023 0.0235 0.1109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0552 0.0588
Loa Loa (eye worm) hypothetical protein 0.005 0.1229 0.1316
Brugia malayi ecdysteroid receptor 0.0032 0.0552 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0552 0.0594
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.023 0.7813 1
Brugia malayi CHE-14 protein 0.0041 0.0892 0.096
Plasmodium falciparum glutathione reductase 0.0031 0.0545 0.1942
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0545 0.1251
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0545 0.0895
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0552 0.0594
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2717 0.2712
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.022 0.0231
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1937 0.1932
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1937 1
Schistosoma mansoni hypothetical protein 0.0039 0.0838 0.0832
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.022 0.0231
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0235 0.0253
Brugia malayi nuclear receptor RXR 0.0017 0.0006 0.0007
Brugia malayi glutathione reductase 0.0091 0.2715 0.2921
Mycobacterium tuberculosis Probable reductase 0.0207 0.6968 0.8915
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0552 0.0588
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0552 0.0588
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.4291 0.4614
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0552 0.2778
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0545 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0207 0.6968 0.8915
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1937 0.6735
Loa Loa (eye worm) hypothetical protein 0.0095 0.2883 0.3098
Brugia malayi TAR-binding protein 0.0134 0.4291 0.4617
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.022 0.0231
Onchocerca volvulus 0.0023 0.0235 0.0123
Brugia malayi Doublecortin family protein 0.0023 0.022 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0552 0.0594
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0545 0.054
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.0545 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0552 0.2778
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0545 0.5
Echinococcus granulosus expressed conserved protein 0.009 0.2672 0.287
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2717 0.2923
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.438 0.471
Schistosoma mansoni polycystin 1-related 0.0023 0.022 0.0214
Schistosoma mansoni hypothetical protein 0.0055 0.1414 0.1409
Echinococcus multilocularis RUN 0.0023 0.022 0.0231
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.9294 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.2733 0.2936
Treponema pallidum NADH oxidase 0.0031 0.0545 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0892 0.0954
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0552 0.0588
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0552 0.0588
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.022 0.0734
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0552 0.0588
Plasmodium falciparum thioredoxin reductase 0.0031 0.0545 0.1942
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.9294 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0235 0.1109
Loa Loa (eye worm) doublecortin family protein 0.0023 0.022 0.0231
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0235 0.0253
Schistosoma mansoni lipoxygenase 0.0135 0.4332 0.4329
Echinococcus granulosus tar DNA binding protein 0.0134 0.4291 0.4614
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0552 0.0588
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0552 0.0588
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0552 0.0588
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0135 0.4332 0.4658
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0545 0.1942
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.024 0.0258
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0235 0.1109
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0552 0.0588
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0552 0.0546
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0552 0.0588
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1937 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2717 0.2918
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0018
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.022 0.0231
Loa Loa (eye worm) RNA binding protein 0.0134 0.4291 0.4614
Loa Loa (eye worm) hypothetical protein 0.0023 0.0235 0.0246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0545 0.0895
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0552 0.0588
Schistosoma mansoni coup transcription factor 0.0032 0.0552 0.0546
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.2937 0.2933
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0545 0.0895
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0545 0.0581
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0552 0.0546
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.1251
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0892 0.0954
Brugia malayi hypothetical protein 0.0271 0.9294 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0552 0.0546
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0552 0.0546
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0545 0.2731
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1937 0.2079
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0231
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Brugia malayi hypothetical protein 0.0026 0.0332 0.0357
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.4291 0.4617
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0552 0.0588
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.2883 0.3098
Schistosoma mansoni survival motor neuron protein 0.0055 0.1414 0.1409
Onchocerca volvulus 0.0055 0.1414 1
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.2715 1
Brugia malayi hypothetical protein 0.0017 0.0006 0.0007
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.1414 0.1521
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0552 0.2778
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0552 0.0588
Echinococcus multilocularis tar DNA binding protein 0.0134 0.4291 0.4614
Echinococcus multilocularis protein patched 0.0041 0.0892 0.0954
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0552 0.0588
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0892 0.0954
Brugia malayi hypothetical protein 0.0017 0.0006 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0552 0.0594
Brugia malayi nuclear receptor NHR-88 0.0032 0.0552 0.0594
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0235 0.0273
Loa Loa (eye worm) TAR-binding protein 0.0134 0.4291 0.4614
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0552 0.0594
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0207 0.6968 0.8915
Brugia malayi RNA binding protein 0.0134 0.4291 0.4617
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.1937 0.6863
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0545 0.5
Brugia malayi nuclear hormone receptor 0.0032 0.0552 0.0594
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0207 0.6968 0.8915
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0545 0.1942
Plasmodium falciparum thioredoxin reductase 0.0091 0.2715 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.0895
Loa Loa (eye worm) hypothetical protein 0.0032 0.0552 0.0588
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.1937 1
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.022 0.0734
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.023 0.7813 1
Schistosoma mansoni lipoxygenase 0.0094 0.2846 0.2842
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0552 0.0588
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.024 0.0258
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.022 0.0231
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.2883 1
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0892 0.0954
Loa Loa (eye worm) hypothetical protein 0.0035 0.0662 0.0706
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1249 0.1343
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0552 0.0594
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0235 0.1109
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0545 0.0895
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0552 0.0546
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.1437 0.154
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0552 0.0594
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0235 0.1109
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0552 0.0546
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0552 0.0546
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.2715 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4291 0.4288
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0552 0.0588
Loa Loa (eye worm) glutathione reductase 0.0091 0.2715 0.2916
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.022 0.0231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1249 0.1338
Echinococcus granulosus RUN 0.0023 0.022 0.0231
Echinococcus multilocularis expressed conserved protein 0.009 0.2672 0.287
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.2715 0.3456
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0006 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0892 0.0954
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0235 0.1109
Loa Loa (eye worm) hypothetical protein 0.0271 0.9294 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0332 0.115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0235 0.0246
Loa Loa (eye worm) hypothetical protein 0.0051 0.1249 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0552 0.0594
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0545 0.0671
Leishmania major trypanothione reductase 0.0091 0.2715 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0207 0.6968 0.8915
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.1937 0.2457
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0545 0.1251
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0552 0.0546
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4291 0.4288
Trypanosoma brucei trypanothione reductase 0.0091 0.2715 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0332 0.115
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0545 0.0581
Brugia malayi Thioredoxin reductase 0.0091 0.2715 0.2921
Onchocerca volvulus 0.0032 0.0552 0.2778
Schistosoma mansoni rab6-interacting 0.0023 0.022 0.0214
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0235 0.0253
Brugia malayi steroid hormone receptor 0.0032 0.0552 0.0594
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0552 0.0588
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0545 0.1251
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0207 0.6968 0.8885
Schistosoma mansoni hypothetical protein 0.0039 0.0838 0.0832
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0545 0.0895
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0552 0.0546
Schistosoma mansoni patched 1 0.0041 0.0892 0.0886
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2717 0.2918
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0018
Mycobacterium tuberculosis Probable oxidoreductase 0.023 0.7813 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.4291 0.4288
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0545 0.1942
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0552 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0552 0.0594
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.2715 0.2916

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.1 Antagonist activity at Homo sapiens (human) CCR5 receptor ChEMBL. No reference
IC50 (binding) = 800 nM Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells ChEMBL. 11549450
IC50 (binding) = 800 nM Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells ChEMBL. 11549450
IC95 (functional) 0 uM Antiviral activity in PBMC cell-based assay using R5 HIV-1 viral isolate YU-2; Not determined. ChEMBL. 11549450

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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