Detailed information for compound 1656175

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.555 | Formula: C24H18N4O3S2
  • H donors: 3 H acceptors: 5 LogP: 5.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(Sc2ncn[nH]2)cc(c2c1cccc2)NS(=O)(=O)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H18N4O3S2/c29-23-20-9-5-4-8-19(20)21(14-22(23)32-24-25-15-26-27-24)28-33(30,31)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,28-29H,(H,25,26,27)
  • InChiKey: SCIOTUWWAPZEBR-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 B-Raf proto-oncogene, serine/threonine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Echinococcus multilocularis raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Brugia malayi Raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Loa Loa (eye worm) TKL/RAF/RAF protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
Loa Loa (eye worm) raf kinase Get druggable targets OG5_130459 All targets in OG5_130459
Schistosoma japonicum ko:K04365 B-Raf proto-oncogene serine/threonine-protein kinase, putative Get druggable targets OG5_130459 All targets in OG5_130459
Echinococcus granulosus raf serine:threonine protein kinase Get druggable targets OG5_130459 All targets in OG5_130459
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
Schistosoma mansoni hypothetical protein 0.0069 0.1542 0.1522
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0132 0.0108
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Schistosoma mansoni hypothetical protein 0.0011 0.0132 0.0108
Loa Loa (eye worm) hypothetical protein 0.0018 0.0291 0.0428
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1363 0.1342
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.044 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0102 0.0078
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0028 0.0004
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0009 0.0076 0.0086
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0077 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0477 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.044 1
Echinococcus multilocularis smad 0.0008 0.006 0.0036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0634 0.101
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0102 0.0078
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Loa Loa (eye worm) hypothetical protein 0.0024 0.044 0.0667
Schistosoma mansoni hypothetical protein 0.0171 0.4056 0.4041
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.006 0.0058
Echinococcus granulosus raf serine:threonine protein kinase 0.0262 0.6286 0.6277
Onchocerca volvulus 0.001 0.0102 0.0218
Brugia malayi hypothetical protein 0.0016 0.0255 0.0383
Plasmodium vivax polyadenylate-binding protein, putative 0.0009 0.0077 0.1175
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0102 0.0129
Toxoplasma gondii polyadenylate binding protein, putative 0.0009 0.0077 0.0452
Entamoeba histolytica hypothetical protein 0.0009 0.0076 0.1244
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0291 0.6617
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Schistosoma mansoni hypothetical protein 0.0032 0.0634 0.0611
Echinococcus granulosus protein kinase c iota type 0.0009 0.0076 0.0052
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.006 0.0036
Loa Loa (eye worm) hypothetical protein 0.0136 0.3196 0.5092
Echinococcus granulosus cpg binding protein 0.0031 0.0604 0.0582
Leishmania major hypothetical protein, conserved 0.0025 0.0477 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.044 1
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0076 0.0052
Schistosoma mansoni rac gtpase activating protein 0.0009 0.0076 0.0052
Onchocerca volvulus 0.0009 0.0076 0.0144
Brugia malayi steroid hormone receptor 0.001 0.0102 0.0129
Loa Loa (eye worm) hypothetical protein 0.0024 0.044 0.0667
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0148 0.3499 0.5578
Brugia malayi Protein kinase domain containing protein 0.0009 0.0076 0.0086
Loa Loa (eye worm) hypothetical protein 0.0018 0.0291 0.0428
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0102 0.0129
Brugia malayi polyadenylate-binding protein 1 0.0009 0.0077 0.0088
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0024 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0009 0.0076 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0102 0.0129
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0009 0.0076 0.0052
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0477 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0009 0.0076 0.0439
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0102 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0102 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0102 0.0129
Loa Loa (eye worm) hypothetical protein 0.0009 0.0077 0.0085
Echinococcus granulosus Smad4 0.0008 0.006 0.0036
Echinococcus granulosus polyadenylate binding protein 0.0009 0.0077 0.0053
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0267 0.6071
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.006 0.0036
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0102 0.0125
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0291 0.5
Echinococcus multilocularis raf serine:threonine protein kinase 0.0262 0.6286 0.6277
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0136 0.3196 0.318
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.006 0.0058
Brugia malayi diacylglycerol kinase 0.0009 0.0076 0.0086
Echinococcus granulosus Protein kinase C brain isozyme 0.0009 0.0076 0.0052
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0028 0.0004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0634 0.0611
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Entamoeba histolytica diacylglycerol kinase, putative 0.0009 0.0076 0.1244
Loa Loa (eye worm) hypothetical protein 0.0018 0.0291 0.0428
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0102 0.0129
Brugia malayi RhoGAP domain containing protein 0.0009 0.0076 0.0086
Schistosoma mansoni coup transcription factor 0.001 0.0102 0.0078
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0009 0.0076 0.0052
Echinococcus multilocularis Smad4 0.0008 0.006 0.0036
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.044 0.9179
Brugia malayi MH2 domain containing protein 0.0008 0.006 0.006
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0024 0.0546
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0009 0.0076 0.0052
Brugia malayi ecdysteroid receptor 0.001 0.0102 0.0129
Echinococcus multilocularis protein kinase c eta type 0.0009 0.0076 0.0052
Schistosoma mansoni unc-13 (munc13) 0.0009 0.0076 0.0052
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.0036
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.044 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0102 0.0078
Brugia malayi CXXC zinc finger family protein 0.0029 0.0564 0.0894
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0102 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0102 0.0129
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0009 0.0076 0.0083
Echinococcus multilocularis polyadenylate binding protein 0.0009 0.0077 0.0053
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0024 0.0546
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0076 0.0086
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0028 0.0004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0102 0.0078
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0102 0.0078
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0024 0.0546
Echinococcus granulosus GPCR family 2 0.0032 0.0634 0.0611
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0634 0.0611
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2325 0.3811
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0009 0.0076 0.0052
Echinococcus multilocularis Diacylglycerol kinase theta 0.0009 0.0076 0.0052
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.006 0.0036
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0009 0.0076 0.0052
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0102 0.0078
Schistosoma mansoni unc-13 (munc13) 0.0009 0.0076 0.0052
Echinococcus multilocularis N chimaerin 0.0009 0.0076 0.0052
Loa Loa (eye worm) Smad1 0.0008 0.006 0.0058
Trypanosoma cruzi polyadenylate-binding protein 1, putative 0.0009 0.0077 0.1175
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0024 0.0546
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0477 0.3845
Onchocerca volvulus 0.0024 0.044 0.1162
Brugia malayi AMP-binding enzyme family protein 0.0024 0.044 0.0688
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0102 0.0218
Loa Loa (eye worm) hypothetical protein 0.0024 0.044 0.0667
Schistosoma mansoni protein kinase C mu 0.0009 0.0076 0.0052
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0076 0.0052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0634 0.0611
Schistosoma mansoni cpg binding protein 0.0031 0.0604 0.0582
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.044 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0102 0.0129
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0102 0.0078
Echinococcus granulosus Eukaryotic translation initiation factor 4H 0.0136 0.3196 0.318
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Echinococcus multilocularis myotubularin protein 13 0.0009 0.0076 0.0052
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0024 0.0546
Brugia malayi Raf kinase 0.0253 0.6061 1
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0076 0.0052
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0009 0.0076 0.0083
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2325 0.3693
Loa Loa (eye worm) hypothetical protein 0.0101 0.2325 0.3693
Schistosoma mansoni hypothetical protein 0.0171 0.4056 0.4041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0102 0.0125
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0477 1
Brugia malayi Protein kinase c protein 2 0.0009 0.0076 0.0086
Onchocerca volvulus 0.0152 0.3601 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1542 0.2437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0102 0.0129
Echinococcus multilocularis dnaJ subfamily B 0.0413 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0102 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0102 0.0078
Brugia malayi nuclear receptor NHR-88 0.001 0.0102 0.0129
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Brugia malayi MH1 domain containing protein 0.0008 0.006 0.006
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0102 0.0129
Brugia malayi RhoGEF domain containing protein 0.0009 0.0076 0.0086
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1201 1
Echinococcus granulosus protein kinase c epsilon type 0.0009 0.0076 0.0052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0028 0.0004
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Brugia malayi protein kinase C II. 0.0009 0.0076 0.0086
Echinococcus multilocularis Rac GTPase activating protein 1 0.0009 0.0076 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0634 0.0979
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0072 0.0077
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.044 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0291 0.5894
Brugia malayi diacylglycerol kinase 0.0009 0.0076 0.0086
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0102 0.0078
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0102 0.0078
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0102 0.0218
Echinococcus granulosus geminin 0.0171 0.4056 0.4041
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0477 1
Echinococcus granulosus Rac GTPase activating protein 1 0.0009 0.0076 0.0052
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0009 0.0076 0.0083
Schistosoma mansoni protein kinase C 0.0009 0.0076 0.0052
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0102 0.0218
Onchocerca volvulus 0.0009 0.0076 0.0144
Schistosoma mansoni serine/threonine protein kinase 0.0262 0.6286 0.6277
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0024 0.0546
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.044 1
Schistosoma mansoni hypothetical protein 0.0413 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.2918 0.4645
Echinococcus multilocularis GPCR, family 2 0.0032 0.0634 0.0611
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0102 0.0078
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2325 0.3811
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0102 0.0078
Brugia malayi MH2 domain containing protein 0.0125 0.2918 0.4793
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0136 0.3196 0.318
Schistosoma mansoni cpg binding protein 0.0029 0.0564 0.0541
Trypanosoma brucei polyadenylate-binding protein 1 0.0009 0.0077 0.1175
Schistosoma mansoni smad 0.0008 0.006 0.0036
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0291 0.6421
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0069 0.0074
Brugia malayi Pleckstrin Homology Domain 0.0009 0.0076 0.0086
Schistosoma mansoni hypothetical protein 0.0032 0.0634 0.0611
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.044 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0048
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0132 0.0108
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.044 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0102 0.0125
Onchocerca volvulus 0.0009 0.0076 0.0144
Plasmodium falciparum polyadenylate-binding protein, putative 0.0009 0.0077 0.1175
Loa Loa (eye worm) hypothetical protein 0.0152 0.3601 0.5741
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0102 0.0125
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0077 0.0053
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0291 0.5894
Schistosoma mansoni atypical protein kinase C 0.0009 0.0076 0.0052
Schistosoma mansoni thyroid hormone receptor 0.001 0.0102 0.0078
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.044 0.9179
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0564 0.0867
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0102 0.0078
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0102 0.0129
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0076 0.0083
Onchocerca volvulus 0.0029 0.0564 0.1509
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.044 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.044 1
Brugia malayi Smad1 0.0008 0.006 0.006
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1542 0.2515
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0009 0.0076 0.0052
Echinococcus granulosus myotubularin protein 13 0.0009 0.0076 0.0052
Trypanosoma brucei polyadenylate-binding protein 2 0.0009 0.0077 0.1175
Brugia malayi AMP-binding enzyme family protein 0.0024 0.044 0.0688
Loa Loa (eye worm) hypothetical protein 0.001 0.0102 0.0125
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0009 0.0076 0.0083
Schistosoma mansoni thyroid hormone receptor 0.001 0.0102 0.0078
Leishmania major poly(A)-binding protein 2 0.0009 0.0077 0.1175
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.044 0.9179
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0102 0.0129
Brugia malayi RhoGAP domain containing protein 0.0009 0.0076 0.0086
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0102 0.0078
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0024 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0102 0.0129
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.0036
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0102 0.0078
Loa Loa (eye worm) hypothetical protein 0.0025 0.0477 0.0727
Schistosoma mansoni hypothetical protein 0.0009 0.0076 0.0052
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0477 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0102 0.0078
Brugia malayi Ras association domain family 1 isoform A 0.0009 0.0076 0.0086
Schistosoma mansoni protein kinase C mu 0.0009 0.0076 0.0052
Schistosoma mansoni hypothetical protein 0.0032 0.0634 0.0611
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0102 0.0129
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0009 0.0076 0.0052
Schistosoma mansoni diacylglycerol kinase theta 0.0009 0.0076 0.0052
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0102 0.0129
Schistosoma mansoni Smad4 0.0008 0.006 0.0036
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0024 0.0546
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0102 0.0078
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0102 0.0078
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0024 0.0546
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0009 0.0076 0.0052
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.044 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0267 0.6071
Loa Loa (eye worm) hypothetical protein 0.0032 0.0634 0.0979
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.044 1
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0009 0.0076 0.0083
Schistosoma mansoni vav2 0.0009 0.0076 0.0052
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0028 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0102 0.0078
Entamoeba histolytica diacylglycerol kinase, putative 0.0009 0.0076 0.1244
Leishmania major poly(A)-binding protein 3 0.0009 0.0077 0.1175
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0102 0.0078
Echinococcus granulosus unc 13 munc13 0.0009 0.0076 0.0052
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0048
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2918 0.4645
Brugia malayi RNA binding protein 0.0136 0.3196 0.5254
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0076 0.0052
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0024 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0102 0.0129
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.044 1
Schistosoma mansoni polyadenylate binding protein 0.0009 0.0077 0.0053
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0267 0.6071
Trypanosoma cruzi polyadenylate-binding protein, putative 0.0009 0.0077 0.1175
Brugia malayi hypothetical protein 0.0025 0.0477 0.075
Echinococcus multilocularis protein kinase c iota type 0.0009 0.0076 0.0052
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0102 0.0078
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0024 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0102 0.0125
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0267 0.6071
Echinococcus granulosus smad 0.0008 0.006 0.0036
Schistosoma mansoni nuclear hormone receptor 0.001 0.0102 0.0078
Echinococcus granulosus protein kinase c eta type 0.0009 0.0076 0.0052
Brugia malayi nuclear hormone receptor 0.001 0.0102 0.0129
Loa Loa (eye worm) hypothetical protein 0.0018 0.0291 0.0428
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0076 0.0052
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0102 0.0078
Brugia malayi MH1 domain containing protein 0.0008 0.006 0.006
Echinococcus multilocularis Eukaryotic translation initiation factor 4H 0.0136 0.3196 0.318
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0102 0.0078
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Loa Loa (eye worm) RasGEF domain-containing protein 0.0009 0.0076 0.0083
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0634 0.101
Echinococcus multilocularis cpg binding protein 0.0031 0.0604 0.0582
Echinococcus granulosus FTZ F1 alpha 0.001 0.0102 0.0078
Schistosoma mansoni diacylglycerol kinase theta 0.0009 0.0076 0.0052
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0477 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0102 0.0125
Schistosoma mansoni eukaryotic translation initiation factor 4h 0.0136 0.3196 0.318
Echinococcus multilocularis geminin 0.0171 0.4056 0.4041
Echinococcus multilocularis protein kinase c epsilon type 0.0009 0.0076 0.0052
Schistosoma mansoni cpg binding protein 0.0031 0.0604 0.0582
Loa Loa (eye worm) raf kinase 0.026 0.6254 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0102 0.0125
Echinococcus multilocularis unc 13 (munc13) 0.0009 0.0076 0.0052
Brugia malayi hypothetical protein 0.0152 0.3601 0.5924
Brugia malayi MH2 domain containing protein 0.0008 0.006 0.006
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.006 0.0036
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.0036
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0102 0.0078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0024 0.0546
Brugia malayi C1-like domain containing protein 0.0009 0.0076 0.0086
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.006 0.0036
Loa Loa (eye worm) hypothetical protein 0.0009 0.0076 0.0083
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.044 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0634 0.0611
Loa Loa (eye worm) hypothetical protein 0.0018 0.0291 0.0428
Brugia malayi AMP-binding enzyme family protein 0.0024 0.044 0.0688
Echinococcus granulosus N chimaerin 0.0009 0.0076 0.0052
Schistosoma mansoni hypothetical protein 0.0032 0.0634 0.0611
Echinococcus granulosus Diacylglycerol kinase theta 0.0009 0.0076 0.0052
Brugia malayi protein kinase C3,putative 0.0009 0.0076 0.0086

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) < 10 % Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells assessed as residual activity at 1 uM by ELISA based kinase assay ChEMBL. 22537109
Activity (binding) = 60 % Inhibition of CRAF assessed as residual activity at 1 uM by ELISA based kinase assay ChEMBL. 22537109
Activity (binding) = 75 % Inhibition of PAK1 assessed as residual activity at 1 uM ChEMBL. 22537109
Activity (binding) = 75 % Inhibition of PIM1 assessed as residual activity at 1 uM ChEMBL. 22537109
Activity (binding) = 75 % Inhibition of PI3Kalpha assessed as residual activity at 1 uM ChEMBL. 22537109
Activity (binding) = 75 % Inhibition of PI3Kgamma assessed as residual activity at 1 uM ChEMBL. 22537109
IC50 (binding) = 0.22 uM Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay ChEMBL. 22537109

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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