Detailed information for compound 1413480

Basic information

Technical information
  • TDR Targets ID: 1413480
  • Name: T0517-9472
  • MW: 318.391 | Formula: C16H18N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNC(=O)CN1c2cccc3c2c(S1(=O)=O)ccc3)C
  • InChi: 1S/C16H18N2O3S/c1-11(2)9-17-15(19)10-18-13-7-3-5-12-6-4-8-14(16(12)13)22(18,20)21/h3-8,11H,9-10H2,1-2H3,(H,17,19)
  • InChiKey: PYZKOIXXUQLJFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC03329084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0389 0.1021
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0269 0.0268
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0372 0.9943
Echinococcus granulosus cation transporting ATPase 13A1 0.0009 0.0005 0.001
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0033 0.0204 0.1207
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0755 1
Schistosoma mansoni hypothetical protein 0.0024 0.0131 0.0185
Brugia malayi Na,K-ATPase alpha subunit 0.0009 0.0005 0.0005
Echinococcus granulosus tar DNA binding protein 0.047 0.3799 1
Loa Loa (eye worm) E1-E2 ATPase 0.0009 0.0005 0.0004
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0053 0.0374 0.0982
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0204 0.541
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0204 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0021 0.0104 0.4944
Echinococcus multilocularis tar DNA binding protein 0.047 0.3799 1
Mycobacterium tuberculosis Conserved protein 0.0033 0.0204 0.1207
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0755 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0021 0.0104 0.1317
Schistosoma mansoni tar DNA-binding protein 0.047 0.3799 0.5571
Loa Loa (eye worm) hypothetical protein 0.0837 0.6815 0.6815
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Brugia malayi hypothetical protein 0.0021 0.0104 0.0104
Echinococcus multilocularis nibrin 0.0021 0.0104 0.027
Echinococcus multilocularis GPCR, family 2 0.0387 0.3119 0.821
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0009 0.0005 0.0004
Echinococcus granulosus copper transporting ATPase 1 0.0009 0.0005 0.001
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0009 0.0005 0.0005
Brugia malayi CXXC zinc finger family protein 0.0026 0.0149 0.0149
Mycobacterium leprae Probable lipase LipE 0.0033 0.0204 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0389 0.0564
Plasmodium vivax replication factor C subunit 1, putative 0.0021 0.0104 0.2675
Loa Loa (eye worm) isocitrate dehydrogenase 0.0053 0.0374 0.0373
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0009 0.0005 0.001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0387 0.3119 0.821
Echinococcus granulosus replication factor c subunit 1 0.0021 0.0104 0.027
Echinococcus granulosus mothers against decapentaplegic 6 0.0018 0.0084 0.0219
Loa Loa (eye worm) Smad1 0.0041 0.0269 0.0268
Mycobacterium tuberculosis Probable esterase LipL 0.0033 0.0204 0.1207
Schistosoma mansoni hypothetical protein 0.0371 0.2989 0.4382
Schistosoma mansoni Smad4 0.0018 0.0084 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Schistosoma mansoni smad 0.0018 0.0084 0.0116
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0389 0.0388
Onchocerca volvulus 0.0033 0.0204 1
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.0009 0.0005 0.001
Echinococcus granulosus dnaJ subfamily B 0.0371 0.2989 0.7867
Brugia malayi DKFZp564C0469 protein 0.0021 0.0104 0.0104
Mycobacterium tuberculosis Conserved protein 0.0033 0.0204 0.1207
Schistosoma mansoni Smad4 0.0018 0.0084 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0009 0.0005 0.001
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0204 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0053 0.0374 0.0982
Echinococcus granulosus nibrin 0.0021 0.0104 0.027
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0084 0.0083
Brugia malayi beta-lactamase 0.0033 0.0204 0.0204
Onchocerca volvulus 0.0033 0.0204 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0021 0.0104 0.2675
Toxoplasma gondii histone lysine methyltransferase SET1 0.0049 0.0341 0.9105
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0053 0.0374 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0084 0.0083
Brugia malayi MH2 domain containing protein 0.0041 0.0269 0.0269
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0053 0.0374 1
Echinococcus multilocularis dnaJ subfamily B 0.0371 0.2989 0.7867
Brugia malayi MH1 domain containing protein 0.0041 0.0269 0.0269
Mycobacterium ulcerans esterase/lipase LipP 0.0033 0.0204 1
Loa Loa (eye worm) TAR-binding protein 0.047 0.3799 0.3799
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0204 1
Brugia malayi RNA recognition motif domain containing protein 0.047 0.3799 0.3799
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.4944
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0018 0.0084 0.3971
Mycobacterium leprae conserved hypothetical protein 0.0033 0.0204 1
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.0009 0.0005 0.0005
Echinococcus multilocularis cation transporting ATPase 13A1 0.0009 0.0005 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.4944
Loa Loa (eye worm) hypothetical protein 0.0387 0.3119 0.3119
Loa Loa (eye worm) hypothetical protein 0.0018 0.0084 0.0083
Schistosoma mansoni tar DNA-binding protein 0.047 0.3799 0.5571
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0009 0.0005 0.001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0053 0.0374 0.0982
Toxoplasma gondii ABC1 family protein 0.0033 0.0204 0.541
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0104 0.4944
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0104 0.2675
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0053 0.0374 1
Brugia malayi hypothetical protein 0.0089 0.0668 0.0668
Toxoplasma gondii ATPase, AAA family protein 0.0021 0.0104 0.2675
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0372 0.9943
Brugia malayi Calcitonin receptor-like protein seb-1 0.1224 1 1
Chlamydia trachomatis DNA ligase 0.0021 0.0104 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0269 0.0707
Brugia malayi MH1 domain containing protein 0.0023 0.012 0.012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0389 0.0564
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0389 0.0389
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0053 0.0374 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0033 0.0204 0.0536
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Loa Loa (eye worm) beta-lactamase 0.0033 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0053 0.0372 0.0371
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0269 0.0707
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.4944
Onchocerca volvulus 0.0033 0.0204 1
Echinococcus multilocularis smad 0.0041 0.0269 0.0707
Schistosoma mansoni topbp1 0.0021 0.0104 0.0145
Trichomonas vaginalis penicillin-binding protein, putative 0.0033 0.0204 1
Onchocerca volvulus 0.0021 0.0104 0.4944
Echinococcus multilocularis replication factor c subunit 1 0.0021 0.0104 0.027
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0204 0.541
Trypanosoma brucei hypothetical protein, conserved 0.0033 0.0204 0.541
Mycobacterium tuberculosis Probable lipase LipE 0.0033 0.0204 0.1207
Loa Loa (eye worm) MH2 domain-containing protein 0.0598 0.4848 0.4847
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0269 0.0707
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.4944
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Brugia malayi E1-E2 ATPase family protein 0.0009 0.0005 0.0005
Schistosoma mansoni eyes absent homolog 0.0089 0.0668 0.0973
Loa Loa (eye worm) RNA binding protein 0.047 0.3799 0.3799
Echinococcus granulosus mothers against decapentaplegic 2 0.0018 0.0084 0.0219
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0372 0.9943
Loa Loa (eye worm) hypothetical protein 0.0089 0.0668 0.0667
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0053 0.0374 0.0982
Brugia malayi MH2 domain containing protein 0.0041 0.0269 0.0269
Echinococcus multilocularis mothers against decapentaplegic 6 0.0018 0.0084 0.0219
Echinococcus granulosus phospholipid transporting ATPase VA 0.0009 0.0005 0.001
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0269 0.0707
Mycobacterium tuberculosis Probable lipase LipD 0.0033 0.0204 0.1207
Loa Loa (eye worm) hypothetical protein 0.0023 0.012 0.0119
Loa Loa (eye worm) hypothetical protein 0.1224 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0131 0.0342
Brugia malayi Pax transcription activation domain interacting protein 0.0021 0.0104 0.0104
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0053 0.0374 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0104 0.2675
Brugia malayi hypothetical protein 0.0021 0.0104 0.0104
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0021 0.0104 0.0104
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0149 0.0148
Brugia malayi hypothetical protein 0.0053 0.0372 0.0372
Leishmania major hypothetical protein, conserved 0.0053 0.0372 0.9943
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0372 0.9943
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0009 0.0005 0.001
Brugia malayi hypothetical protein 0.0009 0.0005 0.0005
Trichomonas vaginalis esterase, putative 0.0033 0.0204 1
Mycobacterium ulcerans lipase LipD 0.0033 0.0204 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0033 0.0204 0.0204
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0387 0.3119 0.3119
Echinococcus multilocularis copper transporting ATPase 1 0.0009 0.0005 0.001
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0021 0.0104 0.2675
Schistosoma mansoni Smad4 0.0041 0.0269 0.0388
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0387 0.3119 0.821
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0387 0.3119 0.821
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0009 0.0005 0.0005
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0372 0.9943
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0033 0.0204 0.0293
Schistosoma mansoni cpg binding protein 0.0028 0.0161 0.023
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0269 0.0388
Brugia malayi hypothetical protein 0.0034 0.0217 0.0217
Echinococcus granulosus smad 0.0041 0.0269 0.0707
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0021 0.0104 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.047 0.3799 0.3799
Schistosoma mansoni topbp1 0.0021 0.0104 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0389 0.1021
Brugia malayi beta-lactamase family protein 0.0033 0.0204 0.0204
Brugia malayi topoisomerase 0.0021 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0837 0.6815 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0053 0.0374 0.0542
Brugia malayi mothers against decapentaplegic homolog 3 0.0018 0.0084 0.0084
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0033 0.0204 0.1207
Brugia malayi Latrophilin receptor protein 2 0.0387 0.3119 0.3119
Brugia malayi MH2 domain containing protein 0.0018 0.0084 0.0084
Brugia malayi TAR-binding protein 0.047 0.3799 0.3799
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0387 0.3119 0.821
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Brugia malayi isocitrate dehydrogenase 0.0053 0.0374 0.0374
Echinococcus granulosus cpg binding protein 0.0028 0.0161 0.0422
Mycobacterium ulcerans hypothetical protein 0.0033 0.0204 1
Giardia lamblia Replication factor C, subunit 1 0.0021 0.0104 1
Echinococcus granulosus phospholipid transporting ATPase IIB 0.0009 0.0005 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1224 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0004
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Schistosoma mansoni tar DNA-binding protein 0.047 0.3799 0.5571
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Trypanosoma cruzi FHA domain containing protein, putative 0.0021 0.0104 0.2675
Brugia malayi MH1 domain containing protein 0.0041 0.0269 0.0269
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0009 0.0005 0.001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0033 0.0204 0.0293
Schistosoma mansoni chromosome transmission fidelity factor 0.0021 0.0104 0.0145
Echinococcus multilocularis phospholipid transporting ATPase VA 0.0009 0.0005 0.001
Mycobacterium tuberculosis Probable hydrolase 0.0033 0.0204 0.1207
Loa Loa (eye worm) latrophilin receptor protein 2 0.0387 0.3119 0.3119
Schistosoma mansoni smad1 5 8 and 0.0041 0.0269 0.0388
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0033 0.0204 1
Schistosoma mansoni tar DNA-binding protein 0.047 0.3799 0.5571
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0021 0.0104 0.4944
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0053 0.0374 0.0982
Toxoplasma gondii isocitrate dehydrogenase 0.0053 0.0374 1
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0269 0.0268
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0131 0.0342
Loa Loa (eye worm) hypothetical protein 0.0033 0.0204 0.0204
Brugia malayi MH1 domain containing protein 0.0023 0.012 0.012
Schistosoma mansoni hypothetical protein 0.0387 0.3119 0.4573
Loa Loa (eye worm) calcium ATPase 0.0009 0.0005 0.0004
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Echinococcus granulosus GPCR family 2 0.0387 0.3119 0.821
Brugia malayi E1-E2 ATPase family protein 0.0009 0.0005 0.0005
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0104 0.2675
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0104 0.4944
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0053 0.0374 1
Loa Loa (eye worm) transcription factor SMAD2 0.0598 0.4848 0.4847
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0372 0.9943
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Echinococcus granulosus cation transporting ATPase 13A3 0.0009 0.0005 0.001
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0053 0.0374 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0033 0.0204 0.1207
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0055 0.0389 0.0565
Treponema pallidum DNA ligase (lig) 0.0021 0.0104 1
Schistosoma mansoni DNA ligase IV 0.0021 0.0104 0.0145
Loa Loa (eye worm) hypothetical protein 0.0089 0.0668 0.0667
Mycobacterium ulcerans beta-lactamase 0.0033 0.0204 1
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.0009 0.0005 0.0005
Schistosoma mansoni cpg binding protein 0.0026 0.0149 0.0212
Echinococcus multilocularis cation transporting ATPase 13A3 0.0009 0.0005 0.001
Schistosoma mansoni hypothetical protein 0.0387 0.3119 0.4573
Onchocerca volvulus 0.0026 0.0149 0.722
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0104 0.4944
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Schistosoma mansoni smad1 5 8 and 0.0041 0.0269 0.0388
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0005 0.001
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0204 0.541
Trichomonas vaginalis penicillin-binding protein, putative 0.0033 0.0204 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0104 0.2675
Schistosoma mansoni tar DNA-binding protein 0.047 0.3799 0.5571
Echinococcus multilocularis Smad4 0.0041 0.0269 0.0707
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0104 0.4944
Schistosoma mansoni cpg binding protein 0.0028 0.0161 0.023
Brugia malayi beta-lactamase family protein 0.0033 0.0204 0.0204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0389 0.0564
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0389 0.1021
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0009 0.0005 0.001
Brugia malayi MH2 domain containing protein 0.0598 0.4848 0.4848
Brugia malayi RNA binding protein 0.047 0.3799 0.3799
Brugia malayi Isocitrate dehydrogenase 0.0053 0.0374 0.0374
Brugia malayi Smad1 0.0041 0.0269 0.0269
Echinococcus granulosus beta LACTamase domain containing family member 0.0033 0.0204 0.0536
Echinococcus multilocularis cation transporting atpase worm 0.0009 0.0005 0.001
Entamoeba histolytica hypothetical protein 0.0021 0.0104 0.1317
Leishmania major hypothetical protein, conserved 0.0033 0.0204 0.541
Mycobacterium tuberculosis Possible penicillin-binding protein 0.021 0.1659 1
Echinococcus granulosus cation transporting atpase worm 0.0009 0.0005 0.001
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0021 0.0104 0.4944
Schistosoma mansoni hypothetical protein 0.0387 0.3119 0.4573
Schistosoma mansoni smad1 5 8 and 0.0041 0.0269 0.0388
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0004
Echinococcus multilocularis cpg binding protein 0.0028 0.0161 0.0422
Loa Loa (eye worm) nuclear factor I 0.0023 0.012 0.0119
Toxoplasma gondii isocitrate dehydrogenase 0.0053 0.0374 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0104 0.0103
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0053 0.0374 0.223
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0033 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0004
Schistosoma mansoni hypothetical protein 0.0387 0.3119 0.4573
Mycobacterium tuberculosis Conserved protein 0.0033 0.0204 0.1207
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0389 0.1021
Echinococcus granulosus Smad4 0.0041 0.0269 0.0707
Echinococcus multilocularis mothers against decapentaplegic 2 0.0018 0.0084 0.0219
Brugia malayi latrophilin 2 splice variant baaae 0.0837 0.6815 0.6815
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0104 0.4944
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0053 0.0374 0.0982
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0372 0.9943
Loa Loa (eye worm) hypothetical protein 0.01 0.0755 0.0754
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0009 0.0005 0.0004
Schistosoma mansoni smad 0.0041 0.0269 0.0388

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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