Detailed information for compound 1598896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.502 | Formula: C24H26N6O2
  • H donors: 4 H acceptors: 4 LogP: 1.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)C)C)Nc1nccc(n1)c1cc2c([nH]1)C1(CCNCC1)CNC2=O
  • InChi: 1S/C24H26N6O2/c1-14-3-4-16(11-15(14)2)21(31)30-23-26-8-5-18(29-23)19-12-17-20(28-19)24(13-27-22(17)32)6-9-25-10-7-24/h3-5,8,11-12,25,28H,6-7,9-10,13H2,1-2H3,(H,27,32)(H,26,29,30,31)
  • InChiKey: RQGMNVCQBKKPKI-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 mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0509 0.5211
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0236
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0509 0.1812
Echinococcus granulosus expressed conserved protein 0.0091 0.1069 0.125
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0092 0.0236
Brugia malayi nuclear hormone receptor 0.001 0.0045 0.0063
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0092 0.0241
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0254 0.2026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0045 0.0037
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.1245
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0045 0.0037
Onchocerca volvulus 0.0014 0.0092 0.097
Onchocerca volvulus 0.0017 0.014 0.1951
Echinococcus granulosus FTZ F1 alpha 0.001 0.0045 0.0044
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1143 0.1337
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.1245
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0045 0.0063
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0045 0.0044
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.8498 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0045 0.0037
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0045 0.0037
Brugia malayi Probable ClpP-like protease 0.0077 0.0891 0.3255
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0632 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0336 0.474
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0336 0.474
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1162 0.1359
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0556 0.0549
Brugia malayi jmjC domain containing protein 0.0015 0.0114 0.0324
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0891 1
Brugia malayi ecdysteroid receptor 0.001 0.0045 0.0063
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0134 0.0149
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0632 0.6759
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0366 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0045 0.0063
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.003 0.0022
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0632 0.0736
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0114 0.0125
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0092 0.0426
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0114 0.0125
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Leishmania major hypothetical protein, conserved 0.0015 0.0114 0.0405
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0584 0.2093
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0045 0.0037
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0366 0.0422
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0632 0.0625
Brugia malayi steroid hormone receptor 0.001 0.0045 0.0063
Echinococcus multilocularis tumor protein p63 0.0331 0.412 0.4115
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Echinococcus granulosus microtubule associated protein 2 0.0676 0.8498 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0045 0.0063
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.003 0.0026
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.065 0.0643
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0254 0.2026
Echinococcus multilocularis expressed conserved protein 0.0091 0.1069 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0045 0.0063
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0045 0.0063
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.1245
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0114 0.0125
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0114 0.0106
Loa Loa (eye worm) hypothetical protein 0.0046 0.0509 0.1807
Toxoplasma gondii hypothetical protein 0.0026 0.0254 0.2026
Echinococcus multilocularis dnaJ subfamily B 0.04 0.5004 0.5
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0114 0.0274
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0336 0.474
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0596 0.6299
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0045 0.0057
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0509 0.5211
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0092 0.0099
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0336 0.474
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0671 0.0781
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0509 0.5211
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0366 0.0422
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0045 0.0037
Entamoeba histolytica hypothetical protein 0.0035 0.0366 0.2609
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0509 0.771
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0891 0.1041
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0444 0.0514
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0254 0.2026
Mycobacterium ulcerans hypothetical protein 0.0046 0.0509 0.5211
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0632 0.6759
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0092 0.0426
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.065 0.0757
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0092 0.0426
Schistosoma mansoni thyroid hormone receptor 0.001 0.0045 0.0044
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0092 0.0426
Loa Loa (eye worm) hypothetical protein 0.0077 0.0891 0.3251
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0671 0.0781
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0045 0.0057
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.1245
Onchocerca volvulus 0.0046 0.0509 0.9482
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0509 0.1812
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0114 0.0319
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0045 0.0063
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0114 0.0125
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0045 0.0044
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0045 0.0044
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0092 0.0241
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0092 0.0426
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0891 0.0884
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0114 0.0106
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0134 0.0127
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0092 0.0099
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0319
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0092 0.0426
Schistosoma mansoni hypothetical protein 0.004 0.0425 0.0492
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0045 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0045 0.0063
Entamoeba histolytica hypothetical protein 0.0035 0.0366 0.2609
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0045 0.0057
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 0.268 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0534 0.062
Onchocerca volvulus 0.0048 0.0534 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0092 0.0426
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0509 0.7807
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0114 0.0274
Entamoeba histolytica hypothetical protein 0.0035 0.0366 0.2609
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0092 0.0236
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0509 0.3962
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0045 0.0044
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.268 0.3148
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0092 0.0426
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0509 0.771
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 0.5
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0092 0.0426
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0045 0.0037
Loa Loa (eye worm) oxidoreductase 0.0014 0.0092 0.0236
Schistosoma mansoni hypothetical protein 0.0035 0.0366 0.0422
Schistosoma mansoni hypothetical protein 0.004 0.0425 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0045 0.0063
Brugia malayi nuclear receptor NHR-88 0.001 0.0045 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0045 0.0063
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0092 0.0241
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0509 0.5211
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0671 0.2418
Schistosoma mansoni hypothetical protein 0.004 0.0425 0.0492
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0045 0.0057
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0092 0.2075
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0891 1
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1668 0.1956
Schistosoma mansoni cpg binding protein 0.003 0.0296 0.034
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0676 0.0788
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0045 0.0044
Brugia malayi jmjC domain containing protein 0.0015 0.0114 0.0324
Brugia malayi jmjC domain containing protein 0.0059 0.0671 0.2422
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0045 0.0037
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.036 0.3346
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0444 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0045 0.0063
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0509 0.5211
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0444 0.1565
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0114 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.036 0.3346
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0045 0.0063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0045 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0045 0.0057
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.036 0.3346
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0045 0.0044
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0114 0.0106
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0534 0.1903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0045 0.0057
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0632 0.0736
Loa Loa (eye worm) hypothetical protein 0.0051 0.0563 0.2011
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0045 0.0063
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0509 0.5211
Schistosoma mansoni hypothetical protein 0.04 0.5004 0.5885
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0045 0.0063
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0509 0.5211
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0632 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0092 0.0084
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0509 0.5211
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0092 0.0241
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0509 0.1812
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0556 0.5809
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0891 0.1041
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0045 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0045 0.0044
Echinococcus multilocularis protein dispatched 1 0.0047 0.0519 0.0511
Brugia malayi CHE-14 protein 0.0041 0.0444 0.1569
Schistosoma mansoni patched 1 0.0041 0.0444 0.0514
Schistosoma mansoni coup transcription factor 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.1245
Loa Loa (eye worm) hypothetical protein 0.0046 0.0509 0.1807
Echinococcus multilocularis cpg binding protein 0.003 0.0296 0.0289
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0276 0.093
Echinococcus granulosus dnaJ subfamily B 0.04 0.5004 0.5885
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0632 0.2278
Schistosoma mansoni cpg binding protein 0.0028 0.0276 0.0316
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1143 1
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0092 0.0241
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0045 0.0044
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0114 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0114 0.0106
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0114 1
Brugia malayi hypothetical protein 0.0035 0.0366 0.1275
Echinococcus granulosus phd:f box containing protein 0.0015 0.0114 0.0125
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0509 0.3962
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0671 0.0781
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0444 0.0514
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1143 0.1136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0319
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0509 0.771
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0092 0.2075
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0236
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0045 0.0037
Schistosoma mansoni hypothetical protein 0.004 0.0425 0.0492
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0319
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0045 0.0044
Onchocerca volvulus 0.0014 0.0092 0.097
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0556 0.0646
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0092 0.0241
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0509 0.5211
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0092 0.0426
Echinococcus granulosus tumor protein p63 0.0331 0.412 0.4843
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0114 0.0125
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0444 0.1565
Plasmodium vivax JmjC domain containing protein 0.0015 0.0114 0.0274
Schistosoma mansoni jumonji domain containing protein 0.0058 0.065 0.0757
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0556 0.8654
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0114 0.0319
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0045 0.0044
Schistosoma mansoni cpg binding protein 0.003 0.0296 0.034
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.8498 0.8497
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0114 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0045 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0444 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0045 0.0057
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0556 0.8654
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 0.268 0.3148
Brugia malayi CXXC zinc finger family protein 0.0028 0.0276 0.0935
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0045 0.0057
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0114 0.0125
Plasmodium falciparum JmjC domain-containing protein, putative 0.0015 0.0114 0.0274
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0891 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.065 0.0643
Onchocerca volvulus 0.0028 0.0276 0.473
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0114 0.0125
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1668 0.1662
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0509 0.7807
Brugia malayi jmjC domain containing protein 0.0058 0.065 0.2346
Echinococcus granulosus cpg binding protein 0.003 0.0296 0.034
Echinococcus multilocularis protein patched 0.0041 0.0444 0.0437
Brugia malayi jmjC domain containing protein 0.0015 0.0114 0.0324
Loa Loa (eye worm) hypothetical protein 0.0046 0.0509 0.1807
Schistosoma mansoni nuclear hormone receptor 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Loa Loa (eye worm) hypothetical protein 0.0096 0.1143 0.4201
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0045 0.0044
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 0.268 0.2675
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0045 0.0063
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0114 0.0125
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.036 0.5166
Brugia malayi jmjC domain containing protein 0.0015 0.0114 0.0324
Entamoeba histolytica hypothetical protein 0.0035 0.0366 0.2609
Brugia malayi map kinase activated protein kinase protein 2 0.0217 0.268 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0891 1
Onchocerca volvulus 0.0014 0.0092 0.097
Schistosoma mansoni thyroid hormone receptor 0.001 0.0045 0.0044
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1143 0.4204
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0092 0.0426
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0045 0.0044
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.0057
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0509 0.3962

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 60 mins by multi-spot assay ChEMBL. 22119462
EC50 (binding) = 3.1 nM Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay ChEMBL. 22119462
EC50 (functional) = 3.4 uM Inhibition of LPS-induced TNFalpha production in human THP1 cells pre-incubated for 30 mins prior to LPS-induction measured after 4 hrs by ELISA ChEMBL. 22119462

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22119462

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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