Detailed information for compound 371082

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.318 | Formula: C15H10F3N3O4S
  • H donors: 4 H acceptors: 4 LogP: 3.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1O)O)Nc1nc2c(s1)cc(cc2)OC(F)(F)F
  • InChi: 1S/C15H10F3N3O4S/c16-15(17,18)25-8-2-4-10-12(6-8)26-14(20-10)21-13(24)19-9-3-1-7(22)5-11(9)23/h1-6,22-23H,(H2,19,20,21,24)
  • InChiKey: GFBUWOJBXLRDMO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Leishmania major histone deacetylase, putative 0.0267 0.4508 0.5899
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0065 0.0576 0.0445
Schistosoma mansoni hypothetical protein 0.0065 0.0576 0.0857
Toxoplasma gondii histone deacetylase HDAC5 0.0115 0.1541 0.2409
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0479 0.0714
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.0635 0.0868
Giardia lamblia Histone deacetylase 0.0267 0.4508 1
Trypanosoma brucei histone deacetylase, putative 0.0286 0.4885 0.6401
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0065 0.0576 0.0857
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0065 0.0576 0.0445
Loa Loa (eye worm) hypothetical protein 0.0172 0.2648 0.3501
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0497 0.074
Brugia malayi Histone deacetylase family protein 0.0286 0.4885 0.6685
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Loa Loa (eye worm) histone deacetylase 11 0.0115 0.1541 0.1957
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0089 0.1031 0.1811
Trypanosoma brucei histone deacetylase 4 0.0286 0.4885 0.6401
Echinococcus granulosus geminin 0.0358 0.6279 0.9351
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0635 0.0163
Loa Loa (eye worm) histone deacetylase 1 0.0267 0.4508 0.6095
Brugia malayi Carboxypeptidase A2 precursor 0.0065 0.0576 0.0788
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Schistosoma mansoni histone deacetylase 0.0267 0.4508 0.6714
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0497 0.074
Entamoeba histolytica histone deacetylase, putative 0.0267 0.4508 1
Schistosoma mansoni histone deacetylase 0.0267 0.4508 0.6714
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Leishmania major histone deacetylase, putative 0.0286 0.4885 0.6452
Loa Loa (eye worm) zinc carboxypeptidase 0.0065 0.0576 0.0611
Brugia malayi histone deacetylase 11 0.0115 0.1541 0.2108
Echinococcus granulosus histone deacetylase 0.0286 0.4885 0.7276
Echinococcus multilocularis 0.0065 0.0576 0.0857
Trypanosoma cruzi histone deacetylase 1, putative 0.0267 0.4508 0.6026
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0339 0.0282
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0479 0.0714
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0065 0.0576 0.0219
Echinococcus multilocularis histone deacetylase 0.0286 0.4885 0.7276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0189 0.0282
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0189 0.0282
Loa Loa (eye worm) hypothetical protein 0.0115 0.1541 0.1957
Echinococcus granulosus tar DNA binding protein 0.0061 0.0497 0.074
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.038 0.6714 1
Echinococcus multilocularis geminin 0.0358 0.6279 0.9351
Echinococcus multilocularis histone deacetylase 8 0.0115 0.1541 0.2294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0189 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0497 0.074
Loa Loa (eye worm) hypothetical protein 0.0147 0.2166 0.2829
Loa Loa (eye worm) zinc carboxypeptidase 0.0065 0.0576 0.0611
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Plasmodium vivax histone deacetylase 1, putative 0.0267 0.4508 0.9124
Trypanosoma brucei histone deacetylase 2 0.0115 0.1541 0.1433
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0065 0.0576 0.0445
Echinococcus multilocularis histone deacetylase 6 0.0286 0.4885 0.7276
Echinococcus granulosus histone deacetylase 3 0.0267 0.4508 0.6714
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Echinococcus granulosus histone deacetylase 6 0.0286 0.4885 0.7276
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Brugia malayi histone deacetylase 1 (HD1) 0.0267 0.4508 0.6168
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.4444 0.6619
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0497 0.0501
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4885 0.6561
Echinococcus multilocularis solute carrier family 13 0.0089 0.1031 0.1535
Onchocerca volvulus 0.0065 0.0576 0.0352
Trichomonas vaginalis sodium-dependent high-affinity dicarboxylate transporter, putative 0.0089 0.1031 0.1811
Schistosoma mansoni histone deacetylase 4 5 0.0286 0.4885 0.7276
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0065 0.0576 0.0141
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Loa Loa (eye worm) hypothetical protein 0.0089 0.1031 0.1246
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0635 0.0945
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.038 0.6714 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0115 0.1541 0.1868
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Schistosoma mansoni peptidase 0.0065 0.0576 0.0857
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Schistosoma mansoni histone deacetylase 1 2 3 0.0115 0.1541 0.2294
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4885 0.6561
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Brugia malayi RNA, U transporter 1 0.008 0.0857 0.1172
Onchocerca volvulus 0.038 0.6714 1
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0065 0.0576 0.0857
Brugia malayi Cytochrome P450 family protein 0.0043 0.0137 0.0188
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Trypanosoma brucei histone deacetylase 1 0.0267 0.4508 0.5841
Echinococcus granulosus solute carrier family 13 0.0089 0.1031 0.1535
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4508 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.4444 0.6006
Brugia malayi hypothetical protein 0.0147 0.2166 0.2963
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.038 0.6714 1
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0065 0.0576 0.0857
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Trypanosoma cruzi histone deacetylase 1, putative 0.0267 0.4508 0.6026
Trypanosoma cruzi histone deacetylase, putative 0.0115 0.1541 0.1815
Schistosoma mansoni sodium/dicarboxylate cotransporter-related 0.0089 0.1031 0.1535
Onchocerca volvulus 0.038 0.6714 1
Echinococcus granulosus histone deacetylase 8 0.0115 0.1541 0.2294
Echinococcus multilocularis histone deacetylase 6 0.0293 0.502 0.7476
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0497 0.068
Echinococcus granulosus histone deacetylase 6 0.0286 0.4885 0.7276
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Echinococcus multilocularis histone deacetylase 3 0.0267 0.4508 0.6714
Toxoplasma gondii flagellar/basal body protein 0.0065 0.0576 0.0219
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0065 0.0576 0.0857
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0497 0.074
Onchocerca volvulus 0.0065 0.0576 0.0352
Toxoplasma gondii histone deacetylase HDAC3 0.0267 0.4508 0.9143
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0497 0.074
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Echinococcus granulosus solute carrier family 13 0.0089 0.1031 0.1535
Onchocerca volvulus Carboxypeptidase D homolog 0.0065 0.0576 0.0352
Loa Loa (eye worm) histone deacetylase 0.0286 0.4885 0.6621
Trypanosoma cruzi C-8 sterol isomerase, putative 0.041 0.7309 1
Echinococcus granulosus histone deacetylase 6 0.0293 0.502 0.7476
Plasmodium vivax histone deacetylase 2, putative 0.0286 0.4885 1
Loa Loa (eye worm) hypothetical protein 0.021 0.3395 0.4543
Toxoplasma gondii histone deacetylase HDAC1 0.0286 0.4885 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Brugia malayi hypothetical protein 0.0264 0.4444 0.6081
Echinococcus granulosus histone deacetylase 1 0.0267 0.4508 0.6714
Onchocerca volvulus Cytosolic carboxypeptidase 1 homolog 0.0065 0.0576 0.0352
Toxoplasma gondii histone deacetylase HDAC4 0.0115 0.1541 0.2409
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0189 0.0259
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.4444 0.6619
Leishmania major C-8 sterol isomerase-like protein 0.041 0.7309 1
Plasmodium vivax histone deacetylase, putative 0.0286 0.4885 1
Echinococcus multilocularis histone deacetylase 6 0.0286 0.4885 0.7276
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0065 0.0576 0.0141
Schistosoma mansoni hypothetical protein 0.0358 0.6279 0.9351
Schistosoma mansoni survival motor neuron protein 0.0054 0.0352 0.0524
Echinococcus granulosus subfamily M14A unassigned peptidase 0.038 0.6714 1
Schistosoma mansoni histone deacetylase hda2 0.0115 0.1541 0.2294
Echinococcus granulosus solute carrier family 13 0.0089 0.1031 0.1535
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.0635 0.0945
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0065 0.0576 0.0141
Loa Loa (eye worm) RNA binding protein 0.0061 0.0497 0.0501
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Brugia malayi ERG2 and Sigma1 receptor like protein 0.041 0.7309 1
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Brugia malayi TAR-binding protein 0.0061 0.0497 0.068
Onchocerca volvulus 0.038 0.6714 1
Loa Loa (eye worm) hypothetical protein 0.041 0.7309 1
Schistosoma mansoni hypothetical protein 0.0054 0.0352 0.0524
Toxoplasma gondii zinc carboxypeptidase, putative 0.0065 0.0576 0.0219
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0065 0.0576 0.0219
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0089 0.1031 0.1811
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0497 0.0501
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0065 0.0576 0.0857
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Chlamydia trachomatis dicarboxylate translocator 0.0039 0.0072 0.5
Onchocerca volvulus 0.0147 0.2166 0.2851
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Schistosoma mansoni histone deacetylase hda2 0.0293 0.502 0.7476
Leishmania major histone deacetylase, putative 0.0286 0.4885 0.6452
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0479 0.0714
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0065 0.0576 0.0857
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0065 0.0576 0.0857
Schistosoma mansoni hypothetical protein 0.0358 0.6279 0.9351
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0065 0.0576 0.0857
Onchocerca volvulus 0.038 0.6714 1
Plasmodium falciparum histone deacetylase, putative 0.0286 0.4885 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.0635 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0497 0.074
Brugia malayi Histone deacetylase 1 0.0267 0.4508 0.6168
Plasmodium falciparum histone deacetylase 2 0.0286 0.4885 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.0635 0.0945
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Loa Loa (eye worm) hypothetical protein 0.0178 0.2782 0.3688
Echinococcus multilocularis snurportin 1 0.0299 0.5135 0.7647
Schistosoma mansoni hypothetical protein 0.0299 0.5135 0.7647
Trypanosoma brucei histone deacetylase 3 0.0286 0.4885 0.6401
Echinococcus granulosus snurportin 1 0.0299 0.5135 0.7647
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0479 0.0714
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Schistosoma mansoni hypothetical protein 0.0049 0.0262 0.039
Loa Loa (eye worm) histone deacetylase 7A 0.0286 0.4885 0.6621
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Loa Loa (eye worm) zinc carboxypeptidase 0.0065 0.0576 0.0611
Mycobacterium ulcerans short chain dehydrogenase 0.0548 1 1
Loa Loa (eye worm) histone deacetylase 3 0.0267 0.4508 0.6095
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Trypanosoma cruzi histone deacetylase, putative 0.0286 0.4885 0.6561
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0352 0.0481
Loa Loa (eye worm) hypothetical protein 0.0315 0.5442 0.7398
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0065 0.0576 0.0445
Echinococcus multilocularis histone deacetylase 7 0.0286 0.4885 0.7276
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.5135 0.6969
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4508 1
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0189 0.0282
Echinococcus multilocularis histone deacetylase 1 0.0267 0.4508 0.6714
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Trichomonas vaginalis histone deacetylase, putative 0.0267 0.4508 1
Brugia malayi RNA binding protein 0.0061 0.0497 0.068
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0267 0.4508 1
Leishmania major sodium/sulphate symporter, putative 0.0089 0.1031 0.0808
Schistosoma mansoni protease m14 carboxypeptidase 0.0065 0.0576 0.0857
Loa Loa (eye worm) zinc carboxypeptidase 0.0065 0.0576 0.0611
Loa Loa (eye worm) hypothetical protein 0.0065 0.0576 0.0611
Trypanosoma brucei C-8 sterol isomerase, putative 0.041 0.7309 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.0635 0.0163
Echinococcus multilocularis solute carrier family 13 0.0089 0.1031 0.1535
Schistosoma mansoni histone deacetylase 4 5 0.0286 0.4885 0.7276
Brugia malayi NaDC-2 0.0089 0.1031 0.141
Plasmodium vivax histone deacetylase, putative 0.0115 0.1541 0.2239
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0189 0.0282
Schistosoma mansoni peptidase 0.0065 0.0576 0.0857
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.0635 0.0163
Echinococcus multilocularis solute carrier family 13 0.0089 0.1031 0.1535
Trypanosoma cruzi Carboxypeptidase-like protein 0.0065 0.0576 0.0445
Loa Loa (eye worm) hypothetical protein 0.0267 0.4508 0.6095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0189 0.0072
Brugia malayi histone deacetylase 3 (HD3) 0.0267 0.4508 0.6168
Toxoplasma gondii histone deacetylase HDAC2 0.0267 0.4508 0.9143
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0065 0.0576 0.0739
Schistosoma mansoni peptidase 0.0065 0.0576 0.0857
Trypanosoma cruzi histone deacetylase, putative 0.0115 0.1541 0.1815
Brugia malayi Histone deacetylase family protein 0.0286 0.4885 0.6685
Leishmania major histone deacetylase, putative 0.0267 0.4508 0.5899
Brugia malayi Zinc carboxypeptidase family protein 0.0065 0.0576 0.0788
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Echinococcus granulosus histone deacetylase 7 0.0286 0.4885 0.7276
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0189 0.0282
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1031 0.1811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0189 0.0282

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of beta amyloid-ABAD interaction by ELISA at 1 mM ChEMBL. 16781151
IC50 (binding) = 53.8 uM Inhibition of beta amyloid-ABAD interaction by ELISA ChEMBL. 16781151

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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