Detailed information for compound 1397192

Basic information

Technical information
  • TDR Targets ID: 1397192
  • Name: ASN 03067445
  • MW: 333.366 | Formula: C14H15N5O3S
  • H donors: 4 H acceptors: 5 LogP: 1.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc(N)cc(n1)O)NNC(=O)Cc1ccccc1
  • InChi: 1S/C14H15N5O3S/c15-10-7-11(20)17-14(16-10)23-8-13(22)19-18-12(21)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,18,21)(H,19,22)(H3,15,16,17,20)
  • InChiKey: YNWJKPMJXZTUDS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000706510
  • N'-[2-[(4-amino-6-oxo-3H-pyrimidin-2-yl)sulfanyl]acetyl]-2-phenylacetohydrazide
  • N'-[2-[(4-amino-6-oxo-3H-pyrimidin-2-yl)sulfanyl]acetyl]-2-phenyl-acetohydrazide
  • N'-[2-[(4-amino-6-oxo-3H-pyrimidin-2-yl)thio]-1-oxoethyl]-2-phenylacetohydrazide
  • N'-[2-[(4-amino-6-keto-3H-pyrimidin-2-yl)thio]acetyl]-2-phenyl-acetohydrazide
  • N'-[2-[(4-amino-6-oxo-3H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-phenyl-ethanehydrazide
  • SMR000272676
  • ZINC04131175

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

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 polycomb protein SCMH1 0.0058 0.087 0.0561
Schistosoma mansoni sodium-bile acid cotransporter related 0.0194 0.383 0.3621
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0315
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1043 0.0739
Brugia malayi intermediate filament protein 0.0033 0.0328 0.0328
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.087 0.0561
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.087 0.0561
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.0066 0.1043 0.1043
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0328 0.0328
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1043 0.0739
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0328 0.0328
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.087 0.0561
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.087 0.0561
Schistosoma mansoni hypothetical protein 0.035 0.721 0.7115
Onchocerca volvulus 0.0058 0.087 0.0561
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1043 0.0739
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.087 0.0561
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1043 0.0739
Loa Loa (eye worm) hypothetical protein 0.0033 0.0328 0.0328
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.087 0.0561
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.454 0.4356
Brugia malayi mbt repeat family protein 0.0058 0.087 0.087
Loa Loa (eye worm) MBCTL1 0.0066 0.1043 0.1043
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.454 0.4356
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1043 0.0739
Schistosoma mansoni sodium-bile acid cotransporter 0.0285 0.5792 0.5649
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1043 0.1043
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.087 0.0561
Loa Loa (eye worm) hypothetical protein 0.0058 0.087 0.087
Brugia malayi mbt repeat family protein 0.0058 0.087 0.087

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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) 141.2538 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.

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