Detailed information for compound 606311

Basic information

Technical information
  • TDR Targets ID: 606311
  • Name: 2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzam ide
  • MW: 296.344 | Formula: C16H12N2O2S
  • H donors: 2 H acceptors: 3 LogP: 3.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1O)Nc1scc(n1)c1ccccc1
  • InChi: 1S/C16H12N2O2S/c19-14-9-5-4-8-12(14)15(20)18-16-17-13(10-21-16)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
  • InChiKey: LFKFRUIOKSHGEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-hydroxy-N-(4-phenylthiazol-2-yl)benzamide
  • 2-hydroxy-N-(4-phenyl-2-thiazolyl)benzamide
  • ZINC00192476
  • Oprea1_623952
  • 2-Hydroxy-N-(4-phenyl-thiazol-2-yl)-benzamide
  • BAS 00491996
  • ST5449281
  • Oprea1_134090

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
Loa Loa (eye worm) TAR-binding protein 0.0125 1 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.417 0.4082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2203 0.2085
Echinococcus granulosus chromobox protein 1 0.0068 0.417 0.4082
Schistosoma mansoni tar DNA-binding protein 0.0125 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.7033 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.6052 0.8342
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0758 0.0618
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.6052 0.8342
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0758 0.0618
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1163 0.1029
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0758 0.0618
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1795 0.1671
Echinococcus granulosus jumonji domain containing protein 0.0039 0.1282 0.115
Schistosoma mansoni jumonji domain containing protein 0.0074 0.4785 0.4706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1795 0.1671
Loa Loa (eye worm) hypothetical protein 0.0049 0.2216 0.2098
Brugia malayi jmjC domain containing protein 0.0034 0.0758 0.0618
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.6732 0.6683
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.7033 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.9425 0.9417
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1426 0.3419
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1132 0.7695
Loa Loa (eye worm) hypothetical protein 0.0038 0.1132 0.0997
Echinococcus granulosus chromobox protein 1 0.0068 0.417 0.4082
Brugia malayi TAR-binding protein 0.0125 1 1
Schistosoma mansoni tar DNA-binding protein 0.0125 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1132 0.2714
Plasmodium falciparum thioredoxin reductase 0.0038 0.1112 1
Trypanosoma brucei trypanothione reductase 0.0038 0.1112 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1426 1
Mycobacterium tuberculosis Probable reductase 0.0086 0.6052 0.8342
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.6052 0.8342
Loa Loa (eye worm) RNA binding protein 0.0125 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.6052 0.8342
Echinococcus granulosus tar DNA binding protein 0.0125 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1132 0.2714
Brugia malayi jmjC domain containing protein 0.0093 0.6732 0.6683
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.1282 0.115
Brugia malayi RNA recognition motif domain containing protein 0.0125 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.9425 0.9417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1795 0.1671
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1795 0.1671
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.1112 1
Schistosoma mansoni tar DNA-binding protein 0.0125 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1795 0.1671
Giardia lamblia PHD finger protein 15 0.0028 0.0149 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0638 0.0496
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.1112 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1795 0.1671
Brugia malayi MH2 domain containing protein 0.0119 0.9425 0.9417
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.7033 1
Schistosoma mansoni chromobox protein 0.0068 0.417 0.4082
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0758 0.0618
Echinococcus multilocularis chromobox protein 1 0.0068 0.417 0.4082
Trichomonas vaginalis chromobox protein, putative 0.0068 0.417 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.6732 0.6683
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1163 0.1029
Loa Loa (eye worm) hypothetical protein 0.0033 0.0638 0.0496
Brugia malayi Thioredoxin reductase 0.0038 0.1112 0.0977
Loa Loa (eye worm) glutathione reductase 0.0038 0.1112 0.0977
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.323 0.3128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1795 0.1671
Brugia malayi Heterochromatin protein 1 0.0068 0.417 0.4082
Schistosoma mansoni hypothetical protein 0.0033 0.0638 0.0496
Echinococcus multilocularis tar DNA binding protein 0.0125 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.417 0.4082
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1426 0.3419
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.7033 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1795 0.1671
Onchocerca volvulus 0.003 0.0294 0.1137
Plasmodium falciparum glutathione reductase 0.0038 0.1112 1
Leishmania major trypanothione reductase 0.0038 0.1112 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2203 0.2085
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0758 0.0618
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.1112 0.0977
Brugia malayi chromobox protein homolog 3 0.0038 0.1132 0.0997
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.6052 0.8342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2203 0.2085
Loa Loa (eye worm) hypothetical protein 0.003 0.0294 0.0147
Trichomonas vaginalis chromobox protein, putative 0.0068 0.417 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2203 0.2085
Schistosoma mansoni tar DNA-binding protein 0.0125 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 1 1
Schistosoma mansoni chromobox protein 0.0068 0.417 0.4082
Schistosoma mansoni tar DNA-binding protein 0.0125 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1795 0.1671
Plasmodium vivax glutathione reductase, putative 0.0038 0.1112 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.1112 1
Brugia malayi glutathione reductase 0.0038 0.1112 0.0977

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) = 24.28 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 24.28 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.643 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.643 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 1.005 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 1.005 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.0979 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.