Detailed information for compound 588947

Basic information

Technical information
  • TDR Targets ID: 588947
  • Name: (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carba moyl]amino]propanoyl]amino]propanoic acid
  • MW: 294.692 | Formula: C9H15ClN4O5
  • H donors: 3 H acceptors: 5 LogP: 0.14 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)N=O
  • InChi: 1S/C9H15ClN4O5/c1-5(7(15)11-6(2)8(16)17)12-9(18)14(13-19)4-3-10/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t5-,6-/m0/s1
  • InChiKey: ORIIFNMRPNZKHW-WDSKDSINSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[(2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]propionic acid
  • chloroethylnitrosocarbamoyl-alanyl-alanine
  • (2S)-2-[[(2S)-2-[(2-chloroethyl-nitrosocarbamoyl)amino]propanoyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propionic acid
  • 93299-11-7
  • L-Alanine, N-(N-(((2-chloroethyl)nitrosoamino)carbonyl)-L-alanyl)-
  • N-(N-(((2-Chloroethyl)nitrosoamino)carbonyl)-L-alanyl)-L-alanine
  • Cnc-ala-ala
  • Cnc-alanylalanine

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
Echinococcus granulosus bloom syndrome protein 0.0024 0.1637 0.4043
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.042 0.2945
Loa Loa (eye worm) RecQ helicase 0.0024 0.1637 0.1569
Leishmania major DNA polymerase eta, putative 0.0045 0.3431 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1231 0.4607
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.2281 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.2671 0.7477
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1231 0.2693
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1231 0.1159
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1231 0.3432
Echinococcus granulosus dna polymerase kappa 0.0019 0.1231 0.2693
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.1231 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.042 0.0341
Loa Loa (eye worm) hypothetical protein 0.001 0.042 0.0341
Brugia malayi hypothetical protein 0.0036 0.2671 0.7732
Entamoeba histolytica hypothetical protein 0.0036 0.2671 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1637 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trypanosoma brucei unspecified product 0.0013 0.0713 0.1887
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0671 0.2514
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0713 0.1887
Schistosoma mansoni DNA polymerase eta 0.0045 0.3431 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.2671 0.7786
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trypanosoma brucei unspecified product 0.0013 0.0713 0.1887
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.1637 0.4645
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0671 0.1762
Loa Loa (eye worm) hypothetical protein 0.0045 0.3431 0.3377
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1231 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.2671 0.7477
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.1637 1
Echinococcus multilocularis bloom syndrome protein 0.0024 0.1637 0.4043
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1231 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0671 0.1762
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.3431 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1231 0.3432
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0081 0.0236
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.1231 0.3587
Entamoeba histolytica hypothetical protein 0.0036 0.2671 1
Echinococcus granulosus dna polymerase eta 0.0045 0.3431 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1231 0.3432
Entamoeba histolytica hypothetical protein 0.0036 0.2671 1
Trypanosoma brucei unspecified product 0.0019 0.1231 0.3432
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0949 0.416
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.1011
Entamoeba histolytica hypothetical protein 0.0036 0.2671 1
Schistosoma mansoni DNA helicase recq5 0.001 0.042 0.1223
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.2281 0.6568
Giardia lamblia DINP protein human, muc B family 0.0019 0.1231 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1231 0.3432
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.1201 0.35
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0081 0.0355
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1231 0.579
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1231 0.5
Schistosoma mansoni DNA helicase recq1 0.001 0.042 0.1223
Leishmania major DNA polymerase eta, putative 0.0032 0.2281 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Leishmania major DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1231 0.2693
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.3431 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.184
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1231 0.2693
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0966 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.1385 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.184
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.042 0.2596
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0713 0.1887
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1231 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0671 0.1762
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0081 0.0355
Schistosoma mansoni hypothetical protein 0.0036 0.2671 0.7786
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.3431 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1231 0.579
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Echinococcus multilocularis dna polymerase eta 0.0045 0.3431 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1231 0.3432
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.1231 0.3587
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0713 0.1887

Activities

No activities found for this compound.

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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