Detailed information for compound 1277891

Basic information

Technical information
  • TDR Targets ID: 1277891
  • Name: N-[amino-(2,5-dioxocyclopentylidene)methyl]be nzamide
  • MW: 244.246 | Formula: C13H12N2O3
  • H donors: 2 H acceptors: 3 LogP: 1.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NC(=C1C(=O)CCC1=O)N
  • InChi: 1S/C13H12N2O3/c14-12(11-9(16)6-7-10(11)17)15-13(18)8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H,15,18)
  • InChiKey: HDDVXYFNKOSEQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[amino-(2,5-diketocyclopentylidene)methyl]benzamide
  • MLS000030809
  • N-[Amino-(2,5-dioxo-cyclopentylidene)-methyl]-benzamide
  • SMR000008910
  • AG-690/36831008
  • ZINC00323496
  • BAS 00442024

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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) hypothetical protein 0.0039 0.0579 0.0792
Loa Loa (eye worm) hypothetical protein 0.0049 0.0892 0.1238
Loa Loa (eye worm) hypothetical protein 0.0101 0.2516 0.3551
Brugia malayi beta-lactamase family protein 0.0039 0.0579 0.042
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.3275 0.3275
Schistosoma mansoni hypothetical protein 0.0126 0.3275 0.5283
Schistosoma mansoni hypothetical protein 0.0032 0.0357 0.0576
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0579 0.0579
Schistosoma mansoni hypothetical protein 0.0032 0.0357 0.0576
Schistosoma mansoni hypothetical protein 0.0032 0.0357 0.0576
Brugia malayi Ets-domain containing protein 0.0072 0.1611 0.195
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0579 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.1586 0.2559
Mycobacterium ulcerans beta-lactamase 0.0039 0.0579 0.5
Brugia malayi Pre-SET motif family protein 0.022 0.6203 0.8756
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0792
Onchocerca volvulus 0.0039 0.0579 0.0351
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0164 0.4483 0.6353
Onchocerca volvulus 0.005 0.0915 0.0846
Echinococcus granulosus zinc finger protein 0.0024 0.0095 0.0095
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2516 0.3551
Onchocerca volvulus 0.025 0.7149 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2516 0.329
Schistosoma mansoni zinc finger protein 0.0024 0.0095 0.0153
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.3275 0.3275
Schistosoma mansoni ets-related 0.0219 0.6199 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0711 0.0711
Loa Loa (eye worm) hypothetical protein 0.0062 0.1284 0.1797
Schistosoma mansoni thyroid hormone receptor 0.0136 0.359 0.5791
Loa Loa (eye worm) hypothetical protein 0.0069 0.1516 0.2127
Entamoeba histolytica hypothetical protein 0.0071 0.1586 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0579 0.0934
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.6203 0.8805
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0982 0.1584
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0357 0.009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1586 0.1586
Onchocerca volvulus 0.0039 0.0579 0.0351
Schistosoma mansoni hypothetical protein 0.0025 0.0135 0.0217
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0207 0.0333
Brugia malayi hypothetical protein 0.0164 0.4483 0.6206
Schistosoma mansoni gabp alpha 0.0072 0.1611 0.2599
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.034 0.034
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0579 0.5
Brugia malayi hypothetical protein 0.0071 0.1586 0.1913
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0792
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0052 0.0982 0.1366
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.1611 0.1611
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.034 0.0548
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1606 0.1606
Echinococcus multilocularis tumor protein p63 0.0341 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0135 0.0159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0982 0.1584
Brugia malayi MH2 domain containing protein 0.0246 0.7042 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0357 0.0357
Echinococcus multilocularis zinc finger protein 0.0024 0.0095 0.0095
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0711 0.0711
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0792
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0357 0.009
Entamoeba histolytica hypothetical protein 0.0071 0.1586 0.5
Mycobacterium leprae Probable lipase LipE 0.0039 0.0579 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0982 0.0982
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2516 0.329
Loa Loa (eye worm) hypothetical protein 0.0052 0.0964 0.134
Toxoplasma gondii ABC1 family protein 0.0039 0.0579 1
Onchocerca volvulus 0.0164 0.4483 0.6084
Mycobacterium ulcerans lipase LipD 0.0039 0.0579 0.5
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0579 1
Leishmania major hypothetical protein, conserved 0.0039 0.0579 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0579 0.0792
Loa Loa (eye worm) hypothetical protein 0.0032 0.0357 0.0476
Brugia malayi Pre-SET motif family protein 0.0031 0.034 0.0065
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0915 0.1477
Schistosoma mansoni thyroid hormone receptor 0.0136 0.359 0.5791
Entamoeba histolytica hypothetical protein 0.0071 0.1586 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0982 0.0982
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1516 0.1809
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0357 0.0357
Brugia malayi Bromodomain containing protein 0.0091 0.2182 0.2796
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0579 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0304 0.0304
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0357 0.0476
Trichomonas vaginalis set domain proteins, putative 0.025 0.7149 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1586 0.1586
Schistosoma mansoni bromodomain containing protein 0.0076 0.1741 0.2808
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0792
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.7159 1
Brugia malayi Fli-1 protein 0.0219 0.6199 0.8751
Entamoeba histolytica hypothetical protein 0.0071 0.1586 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.08 0.0747
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.7042 1
Brugia malayi Ets-domain containing protein 0.0072 0.1611 0.195
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0579 0.5
Brugia malayi beta-lactamase 0.0039 0.0579 0.042
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0207 0.0207
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0207 0.0207
Schistosoma mansoni hypothetical protein 0.0032 0.0357 0.0576
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0579 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.034 0.0548
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0579 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0069 0.1516 0.2446
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0792
Loa Loa (eye worm) hypothetical protein 0.0046 0.0803 0.1111
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1586 0.2559
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.7042 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2021 0.2846
Loa Loa (eye worm) beta-lactamase 0.0039 0.0579 0.0792
Echinococcus granulosus GPCR family 2 0.0032 0.0357 0.0357
Onchocerca volvulus 0.0039 0.0579 0.0351
Mycobacterium ulcerans hypothetical protein 0.0039 0.0579 0.5
Brugia malayi beta-lactamase family protein 0.0039 0.0579 0.042
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0357 0.0357
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.1611 0.2263
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0579 0.0934
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.359 0.359
Loa Loa (eye worm) hypothetical protein 0.005 0.0915 0.1271
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.1611 0.1611
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0357 0.0357
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0579 0.042
Loa Loa (eye worm) fli-1 protein 0.0219 0.6199 0.8799

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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