Detailed information for compound 1633872

Basic information

Technical information
  • TDR Targets ID: 1633872
  • Name: methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3- ylidene)acetate
  • MW: 324.127 | Formula: C13H10BrNO4
  • H donors: 0 H acceptors: 3 LogP: 1.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C=C\1/c2cc(Br)ccc2N(C1=O)C(=O)C
  • InChi: 1S/C13H10BrNO4/c1-7(16)15-11-4-3-8(14)5-9(11)10(13(15)18)6-12(17)19-2/h3-6H,1-2H3/b10-6-
  • InChiKey: WACRDJCCYIXPRI-POHAHGRESA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate
  • methyl (2Z)-2-(1-acetyl-5-bromo-2-oxo-indolin-3-ylidene)acetate
  • methyl 2-(1-acetyl-5-bromo-2-oxo-indolin-3-ylidene)acetate
  • (2Z)-2-(1-acetyl-5-bromo-2-oxo-3-indolinylidene)acetic acid methyl ester
  • 2-(1-acetyl-5-bromo-2-oxo-3-indolinylidene)acetic acid methyl ester
  • 2-(1-acetyl-5-bromo-2-keto-indolin-3-ylidene)acetic acid methyl ester
  • (2Z)-2-(1-acetyl-5-bromo-2-keto-indolin-3-ylidene)acetic acid methyl ester
  • methyl 2-(5-bromo-1-ethanoyl-2-oxo-indol-3-ylidene)ethanoate
  • methyl (2Z)-2-(5-bromo-1-ethanoyl-2-oxo-indol-3-ylidene)ethanoate
  • BAS 00432051
  • NCI60_038065
  • ZINC04713057
  • NSC707058
  • (1-Acetyl-5-bromo-2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid methyl ester

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
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.4004 0.5247 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1455 0.1372 0.1443
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.251 0.2975 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1455 0.1372 0.1443
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Loa Loa (eye worm) hypothetical protein 0.713 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Mycobacterium leprae conserved hypothetical protein 0.1025 0.0718 0.5
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0858 0.0463 0.2662
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis conserved hypothetical protein 0.4004 0.5247 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Toxoplasma gondii GAF domain-containing protein 0.1025 0.0718 0.9242
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.4004 0.5247 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.4004 0.5247 1
Plasmodium vivax hypothetical protein, conserved 0.1025 0.0718 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.3536 0.4534 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.713 1 1
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.251 0.2975 1
Trichomonas vaginalis conserved hypothetical protein 0.1064 0.0777 0.013
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.251 0.2975 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.294 0.3629 0.6427
Plasmodium falciparum GAF domain-related protein, putative 0.1025 0.0718 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1494 0.143 0.8228
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1697 0.1738 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1494 0.143 0.1573
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.3536 0.4534 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1697 0.1738 1
Trichomonas vaginalis conserved hypothetical protein 0.1064 0.0777 0.013
Toxoplasma gondii hypothetical protein 0.1064 0.0777 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.251 0.2975 0.5915
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Leishmania major hypothetical protein, conserved 0.251 0.2975 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Toxoplasma gondii hypothetical protein 0.1025 0.0718 0.9242
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1455 0.1372 0.1443
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0858 0.0463 0.2662
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1494 0.143 0.143
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis conserved hypothetical protein 0.1064 0.0777 0.013
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.294 0.3629 0.6427
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1494 0.143 0.1573
Toxoplasma gondii hypothetical protein 0.1025 0.0718 0.9242
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1494 0.143 0.8228

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.161 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.651 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.331 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.243 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.014 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.958 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.934 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.892 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.867 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.852 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.816 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (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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