Detailed information for compound 1648443

Basic information

Technical information
  • TDR Targets ID: 1648443
  • Name: 2-chloro-N-[[4-(furan-2-ylmethylamino)-4-oxob utan-2-ylidene]amino]-4-nitrobenzamide
  • MW: 378.767 | Formula: C16H15ClN4O5
  • H donors: 2 H acceptors: 4 LogP: 1.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C/C(=N/NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])/C)NCc1ccco1
  • InChi: 1S/C16H15ClN4O5/c1-10(7-15(22)18-9-12-3-2-6-26-12)19-20-16(23)13-5-4-11(21(24)25)8-14(13)17/h2-6,8H,7,9H2,1H3,(H,18,22)(H,20,23)/b19-10+
  • InChiKey: FQIPNGKYDOTFBQ-VXLYETTFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-N-[[3-(2-furylmethylamino)-1-methyl-3-oxo-propylidene]amino]-4-nitro-benzamide
  • 2-chloro-N-[[3-(2-furylmethylamino)-1-methyl-3-oxopropylidene]amino]-4-nitrobenzamide
  • 2-chloro-N-[[3-(2-furylmethylamino)-3-keto-1-methyl-propylidene]amino]-4-nitro-benzamide
  • 2-chloro-N-[[4-(furan-2-ylmethylamino)-4-oxo-butan-2-ylidene]amino]-4-nitro-benzamide
  • 3-[(2-Chloro-4-nitro-benzoyl)-hydrazono]-N-furan-2-ylmethyl-butyramide
  • BAS 00342054
  • STK118548

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Starlite/ChEMBL No references
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 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_132352 All targets in OG5_132352
Chlamydia trachomatis recombinase RecA Get druggable targets OG5_130095 All targets in OG5_130095
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Wolbachia endosymbiont of Brugia malayi recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. Get druggable targets OG5_130095 All targets in OG5_130095
Mycobacterium ulcerans replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Treponema pallidum replicative DNA helicase (dnaB) Get druggable targets OG5_131890 All targets in OG5_131890
Schistosoma mansoni Replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Mycobacterium ulcerans recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Chlamydia trachomatis replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. Get druggable targets OG5_130095 All targets in OG5_130095
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Treponema pallidum recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.3159 0.7645 1
Treponema pallidum replicative DNA helicase (dnaB) 0.0467 0.0849 1
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0467 0.0849 0.27
Trypanosoma brucei target of rapamycin kinase 3, putative 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3159 0.7645 1
Chlamydia trachomatis replicative DNA helicase 0.0467 0.0849 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.022 0.0227 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Loa Loa (eye worm) phosphatidylinositol 3 0.022 0.0227 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trypanosoma cruzi hypothetical protein, conserved 0.1105 0.246 1
Leishmania major hypothetical protein, conserved 0.1147 0.2567 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.022 0.0227 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0126 0.5423
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.022 0.0227 0.0133
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.002 0.0575
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.022 0.0227 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.022 0.0227 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0467 0.0849 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.022 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0126 0.5423
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.022 0.0227 1
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0467 0.0849 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Loa Loa (eye worm) phosphatidylinositol 3 0.022 0.0227 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.0227 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.022 0.0227 1
Schistosoma mansoni Replicative DNA helicase 0.0467 0.0849 1
Mycobacterium leprae Conserved hypothetical protein 0.1376 0.3144 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.022 0.0227 1
Giardia lamblia GTOR 0.022 0.0227 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 10.24 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
AC50 (functional) > 380 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) = 5.56 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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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