Detailed information for compound 1499867

Basic information

Technical information
  • TDR Targets ID: 1499867
  • Name: N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol- 3-yl)sulfanyl]acetyl]-4-methoxybenzohydrazide
  • MW: 361.419 | Formula: C16H19N5O3S
  • H donors: 2 H acceptors: 4 LogP: 1.33 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NNC(=O)CSc1nnc(n1C)C1CC1
  • InChi: 1S/C16H19N5O3S/c1-21-14(10-3-4-10)18-20-16(21)25-9-13(22)17-19-15(23)11-5-7-12(24-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,22)(H,19,23)
  • InChiKey: JZIMQBITBSCLOA-UHFFFAOYSA-N  

Network

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Synonyms

  • N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxy-benzohydrazide
  • N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxybenzohydrazide
  • N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]-4-methoxy-benzohydrazide
  • N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methoxy-benzohydrazide
  • ASN 05988709
  • ZINC01364670

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545

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
Echinococcus multilocularis acetylcholinesterase 0.0843 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0045 0.0376
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0465 0.3882
Schistosoma mansoni gliotactin 0.0142 0.1197 0.0768
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0142 0.1197 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0142 0.1197 0.0768
Echinococcus multilocularis acetylcholinesterase 0.0843 1 1
Loa Loa (eye worm) hypothetical protein 0.0843 1 1
Echinococcus granulosus carboxylesterase 5A 0.0843 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0142 0.1197 0.0768
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0465 0.0465
Schistosoma mansoni acetylcholinesterase 0.0142 0.1197 0.0768
Echinococcus multilocularis neuroligin 0.0142 0.1197 0.0768
Onchocerca volvulus 0.0142 0.1197 1
Loa Loa (eye worm) hypothetical protein 0.0843 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0142 0.1197 0.0768
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0142 0.1197 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0142 0.1197 0.0768
Brugia malayi Carboxylesterase family protein 0.0843 1 1
Onchocerca volvulus 0.0142 0.1197 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) acetylcholinesterase 1 0.0843 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0142 0.1197 0.0768
Echinococcus granulosus para nitrobenzyl esterase 0.0142 0.1197 0.0768
Loa Loa (eye worm) carboxylesterase 0.0142 0.1197 0.1197
Trichomonas vaginalis spcc417.12 protein, putative 0.0142 0.1197 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0045 0.0376
Mycobacterium ulcerans carboxylesterase, LipT 0.0142 0.1197 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0142 0.1197 0.0768
Brugia malayi Carboxylesterase family protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) carboxylesterase 0.0142 0.1197 0.1197
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0142 0.1197 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0142 0.1197 0.0768
Echinococcus multilocularis carboxylesterase 5A 0.0843 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0142 0.1197 0.0768
Onchocerca volvulus 0.0142 0.1197 1
Echinococcus granulosus acetylcholinesterase 0.0843 1 1
Onchocerca volvulus 0.0142 0.1197 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0142 0.1197 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0142 0.1197 0.0768
Brugia malayi Heterochromatin protein 1 0.0084 0.0465 0.0465
Echinococcus granulosus acetylcholinesterase 0.0843 1 1
Brugia malayi hypothetical protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) carboxylesterase 0.0843 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0843 1 1
Brugia malayi Carboxylesterase family protein 0.0142 0.1197 0.1197
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0045 0.0376
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0465 0.3882
Brugia malayi Carboxylesterase family protein 0.0142 0.1197 0.1197
Onchocerca volvulus 0.0142 0.1197 1
Echinococcus granulosus neuroligin 0.0142 0.1197 0.0768
Brugia malayi Carboxylesterase family protein 0.0142 0.1197 0.1197
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197
Schistosoma mansoni neuroligin 3 (S09 family) 0.0142 0.1197 0.0768
Loa Loa (eye worm) hypothetical protein 0.0142 0.1197 0.1197

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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