Detailed information for compound 1592562

Basic information

Technical information
  • TDR Targets ID: 1592562
  • Name: 3-amino-1-[[2-(5-bromo-3-hydroxy-2-oxo-1H-ind ol-3-yl)-1-phenylethylidene]amino]urea
  • MW: 418.245 | Formula: C17H16BrN5O3
  • H donors: 5 H acceptors: 3 LogP: 0.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)N/N=C(\c1ccccc1)/CC1(O)C(=O)Nc2c1cc(Br)cc2
  • InChi: 1S/C17H16BrN5O3/c18-11-6-7-13-12(8-11)17(26,15(24)20-13)9-14(22-23-16(25)21-19)10-4-2-1-3-5-10/h1-8,26H,9,19H2,(H,20,24)(H2,21,23,25)/b22-14-
  • InChiKey: QCNYSNQEILUJLA-HMAPJEAMSA-N  

Network

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Synonyms

  • 3-amino-1-[[2-(5-bromo-3-hydroxy-2-oxo-indolin-3-yl)-1-phenyl-ethylidene]amino]urea
  • 3-amino-1-[[2-(5-bromo-3-hydroxy-2-oxo-3-indolinyl)-1-phenylethylidene]amino]urea
  • 3-amino-1-[[2-(5-bromo-3-hydroxy-2-keto-indolin-3-yl)-1-phenyl-ethylidene]amino]urea
  • 3-amino-1-[[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenyl-ethylidene]amino]urea
  • NSC618522
  • NCI60_005588

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 conserved hypothetical protein 0.6198 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0674 0.0931 0.4985
Loa Loa (eye worm) carbonic anhydrase 3 0.1245 0.1868 1
Loa Loa (eye worm) hypothetical protein 0.0674 0.0931 0.4985
Mycobacterium ulcerans integral membrane transporter 0.0197 0.0149 0.0149
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1245 0.1868 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0197 0.0149 0.0149
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0674 0.0931 0.4985
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0674 0.0931 0.4985
Plasmodium vivax sulfate transporter, putative 0.0197 0.0149 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0674 0.0931 0.4985
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0197 0.0149 0.0149
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0674 0.0931 0.4985
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1245 0.1868 1
Echinococcus multilocularis carbonic anhydrase 0.0674 0.0931 0.4985
Leishmania major carbonic anhydrase family protein, putative 0.0299 0.0315 0.1689
Plasmodium falciparum carbonic anhydrase 0.0674 0.0931 1
Onchocerca volvulus Putative sulfate transporter 0.1239 0.1858 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1245 0.1868 1
Loa Loa (eye worm) hypothetical protein 0.0674 0.0931 0.4985
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.173 0.2664 0.2801
Chlamydia trachomatis sulfate transporter 0.0197 0.0149 0.5
Mycobacterium leprae Probable transmembrane transport protein 0.1431 0.2173 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1245 0.1868 1
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0197 0.0149 0.0796
Echinococcus granulosus carbonic anhydrase 0.0674 0.0931 0.4985
Echinococcus granulosus carbonic anhydrase 0.0674 0.0931 0.4985
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1245 0.1868 1
Echinococcus granulosus carbonic anhydrase 0.0674 0.0931 0.4985
Leishmania major carbonic anhydrase-like protein 0.1245 0.1868 1
Toxoplasma gondii hypothetical protein 0.0674 0.0931 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1245 0.1868 1
Schistosoma mansoni carbonic anhydrase-related 0.0674 0.0931 0.4985
Schistosoma mansoni carbonic anhydrase 0.0299 0.0315 0.1689
Echinococcus granulosus carbonic anhydrase II 0.1245 0.1868 1
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0197 0.0149 0.0796
Echinococcus multilocularis carbonic anhydrase II 0.1245 0.1868 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.59 0.9509 1
Loa Loa (eye worm) hypothetical protein 0.0674 0.0931 0.4985
Echinococcus multilocularis carbonic anhydrase 0.0674 0.0931 0.4985
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0197 0.0149 0.0796
Schistosoma mansoni hypothetical protein 0.0674 0.0931 0.4985
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0299 0.0315 0.1451
Schistosoma mansoni carbonic anhydrase 0.0674 0.0931 0.4985
Onchocerca volvulus 0.1239 0.1858 0.5
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.1431 0.2173 0.2285
Entamoeba histolytica carbonic anhydrase, putative 0.0299 0.0315 1
Schistosoma mansoni carbonic anhydrase-related 0.0674 0.0931 0.4985
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0674 0.0931 0.4985
Schistosoma mansoni carbonic anhydrase-related 0.0674 0.0931 0.4985
Trichomonas vaginalis conserved hypothetical protein 0.6198 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1245 0.1868 1
Echinococcus multilocularis carbonic anhydrase 0.0674 0.0931 0.4985
Mycobacterium ulcerans carbonic anhydrase 0.0299 0.0315 0.0315
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1245 0.1868 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.903 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) -4.743 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) -4.659 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) -4.622 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) -4.615 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) -4.537 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
GI50 (functional) -4.534 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) -4.47 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

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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