Detailed information for compound 568074

Basic information

Technical information
  • TDR Targets ID: 568074
  • Name: (2S)-2-(acridin-9-ylamino)-3-[4-[bis(2-chloro ethyl)amino]phenyl]propanoic acid hydrochlori de
  • MW: 518.863 | Formula: C26H26Cl3N3O2
  • H donors: 2 H acceptors: 3 LogP: 7.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)Nc1c2ccccc2nc2c1cccc2)CCCl.Cl
  • InChi: 1S/C26H25Cl2N3O2.ClH/c27-13-15-31(16-14-28)19-11-9-18(10-12-19)17-24(26(32)33)30-25-20-5-1-3-7-22(20)29-23-8-4-2-6-21(23)25;/h1-12,24H,13-17H2,(H,29,30)(H,32,33);1H/t24-;/m0./s1
  • InChiKey: GGHBELMGCPMLSE-JIDHJSLPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-(9-acridinylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid hydrochloride
  • (2S)-2-(acridin-9-ylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid hydrochloride
  • sarcolysine acridine
  • 53161-31-2
  • L-Phenylalanine, N-9-acridinyl-4-(bis(2-chloroethyl)amino)-, monohydrochloride

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
Onchocerca volvulus 0.0012 0.0035 0.0197
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0012 0.0035 0.0082
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0323 0.0768
Echinococcus multilocularis protein dispatched 1 0.0047 0.0476 0.0476
Trichomonas vaginalis cyclin B, putative 0.002 0.0127 0.2527
Trichomonas vaginalis cyclins, putative 0.002 0.0127 0.2527
Brugia malayi aspartic protease BmAsp-1, identical 0.0012 0.0035 0.0082
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0127 0.0303
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0095 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0323 0.0768
Schistosoma mansoni hypothetical protein 0.0039 0.0382 0.0909
Echinococcus granulosus polycomb protein SCMH1 0.0043 0.0434 0.1031
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0153 0.184 0.4374
Entamoeba histolytica hypothetical protein 0.0035 0.0323 0.2006
Loa Loa (eye worm) cyclin domain-containing protein 0.002 0.0127 0.0303
Brugia malayi AMP-binding enzyme family protein 0.0023 0.017 0.0404
Trypanosoma cruzi cyclin 6, putative 0.002 0.0127 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0012 0.0035 0.0082
Echinococcus granulosus cyclins 0.002 0.0127 0.0303
Loa Loa (eye worm) hypothetical protein 0.002 0.0127 0.0303
Brugia malayi AMP-binding enzyme family protein 0.0023 0.017 0.0404
Loa Loa (eye worm) hypothetical protein 0.0017 0.0095 0.0226
Loa Loa (eye worm) hypothetical protein 0.0146 0.1761 0.4186
Trichomonas vaginalis cyclin D, putative 0.002 0.0127 0.2527
Brugia malayi hypothetical protein 0.0035 0.0323 0.0768
Onchocerca volvulus 0.0043 0.0434 0.2464
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.0336 0.4206 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0337 0.0801
Loa Loa (eye worm) hypothetical protein 0.0041 0.0401 0.0954
Trichomonas vaginalis cyclin B, putative 0.002 0.0127 0.2527
Echinococcus granulosus cyclins 0.002 0.0127 0.0303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0082
Mycobacterium ulcerans hypothetical protein 0.0023 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0336 0.4206 1
Schistosoma mansoni sex comb on midleg homolog 0.0043 0.0434 0.1031
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Brugia malayi Eukaryotic aspartyl protease family protein 0.0012 0.0035 0.0082
Loa Loa (eye worm) hypothetical protein 0.002 0.0127 0.0303
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0012 0.0035 0.0082
Schistosoma mansoni hypothetical protein 0.0035 0.0323 0.0768
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0082
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.017 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Trypanosoma cruzi CYC2-like cyclin, putative 0.002 0.0127 0.5
Echinococcus multilocularis cyclin B3 1 0.002 0.0127 0.0127
Echinococcus granulosus cyclin B3 1 0.002 0.0127 0.0303
Schistosoma mansoni cyclins 0.002 0.0127 0.0303
Trichomonas vaginalis cyclin A, putative 0.002 0.0127 0.2527
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0039 0.0382 0.0909
Trichomonas vaginalis cyclin B, putative 0.002 0.0127 0.2527
Onchocerca volvulus 0.0146 0.1761 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0323 0.0323
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0036 0.0337 0.0801
Trichomonas vaginalis cyclin B, putative 0.002 0.0127 0.2527
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1631 0.1631
Brugia malayi aspartic protease BmAsp-2, identical 0.0012 0.0035 0.0082
Echinococcus granulosus cyclins 0.002 0.0127 0.0303
Brugia malayi hypothetical protein 0.0146 0.1761 0.4186
Schistosoma mansoni cathepsin D (A01 family) 0.0012 0.0035 0.0082
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0095 0.139
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.017 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0036 0.0337 0.1913
Echinococcus granulosus cyclin b3 0.002 0.0127 0.0303
Onchocerca volvulus 0.002 0.0127 0.0723
Schistosoma mansoni cyclin B3 0.002 0.0127 0.0303
Schistosoma mansoni hypothetical protein 0.0178 0.2161 0.5138
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.017 1
Echinococcus multilocularis protein patched 0.0041 0.0401 0.0401
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.017 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.017 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.0336 0.4206 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0127 0.0303
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.1103 0.2623
Brugia malayi mbt repeat family protein 0.0036 0.0337 0.0801
Echinococcus granulosus cyclin B 0.002 0.0127 0.0303
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.017 0.0436
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0401 0.0954
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.017 0.0436
Echinococcus multilocularis cyclin B 0.002 0.0127 0.0127
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.017 0.0404
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.017 1
Brugia malayi mbt repeat family protein 0.0036 0.0337 0.0801
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0401 0.0954
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0153 0.184 0.4374
Trypanosoma cruzi cyclin, putative 0.002 0.0127 0.5
Trichomonas vaginalis cyclin D, putative 0.002 0.0127 0.2527
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.017 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0095 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1122 0.2668
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0401 0.0954
Onchocerca volvulus 0.0012 0.0035 0.0197
Trypanosoma brucei mitotic cyclin 6 0.002 0.0127 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.017 0.0436
Loa Loa (eye worm) hypothetical protein 0.0017 0.0095 0.0226
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0401 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.017 1
Schistosoma mansoni cathepsin D (A01 family) 0.0012 0.0035 0.0082
Trichomonas vaginalis cyclin B3, putative 0.002 0.0127 0.2527
Echinococcus multilocularis polycomb protein SCMH1 0.0043 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0039 0.0382 0.0909
Trichomonas vaginalis cyclins, putative 0.002 0.0127 0.2527
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0012 0.0035 0.0035
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0142 0.1698 0.4037
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0153 0.184 0.184
Loa Loa (eye worm) hypothetical protein 0.0023 0.017 0.0404
Echinococcus multilocularis SAM and MBT domain containing protein 0.0036 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0017 0.0095 0.0226
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Loa Loa (eye worm) mbt repeat family protein 0.0036 0.0337 0.0801
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.002 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0017 0.0095 0.0226
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.1103 0.2623
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0095 0.6516
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Entamoeba histolytica hypothetical protein 0.0035 0.0323 0.2006
Trichomonas vaginalis cyclins, putative 0.002 0.0127 0.2527
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0401 0.0401
Echinococcus granulosus expressed conserved protein 0.009 0.1029 0.2446
Onchocerca volvulus 0.0023 0.017 0.0965
Trichomonas vaginalis cyclin B, putative 0.002 0.0127 0.2527
Loa Loa (eye worm) hypothetical protein 0.0023 0.017 0.0404
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.017 1
Echinococcus multilocularis expressed conserved protein 0.009 0.1029 0.1029
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Echinococcus granulosus cyclins 0.002 0.0127 0.0303
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0142 0.1698 0.1698
Brugia malayi hypothetical protein 0.0012 0.0035 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0082
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.017 1
Schistosoma mansoni patched 1 0.0041 0.0401 0.0954
Trichomonas vaginalis cyclins, putative 0.002 0.0127 0.2527
Loa Loa (eye worm) hypothetical protein 0.005 0.052 0.1237
Brugia malayi AMP-binding enzyme family protein 0.0023 0.017 0.0404
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0153 0.184 0.4374
Brugia malayi hypothetical protein 0.0012 0.0035 0.0082
Brugia malayi CHE-14 protein 0.0041 0.0401 0.0954
Loa Loa (eye worm) aspartyl protease 6 0.0012 0.0035 0.0082
Plasmodium falciparum cyclin 0.002 0.0127 1
Echinococcus multilocularis cyclin b3 0.002 0.0127 0.0127
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.1103 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.017 0.5
Giardia lamblia Cyclin A 0.002 0.0127 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0012 0.0035 0.0082
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.1103 0.1103
Brugia malayi Cyclin, N-terminal domain containing protein 0.002 0.0127 0.0303
Entamoeba histolytica hypothetical protein 0.0035 0.0323 0.2006
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1631 0.3877
Echinococcus granulosus G2:mitotic specific cyclin B3 0.002 0.0127 0.0303
Trichomonas vaginalis cyclins, putative 0.002 0.0127 0.2527
Loa Loa (eye worm) hypothetical protein 0.0017 0.0095 0.0226
Entamoeba histolytica hypothetical protein 0.0035 0.0323 0.2006
Toxoplasma gondii hypothetical protein 0.0015 0.0066 1
Echinococcus granulosus cyclins 0.002 0.0127 0.0303
Schistosoma mansoni sex comb on midleg homolog 0.0043 0.0434 0.1031
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0127 0.2527
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.1103 0.2623
Echinococcus multilocularis cyclins 0.002 0.0127 0.0127
Schistosoma mansoni memapsin-2 (A01 family) 0.0311 0.3878 0.922
Schistosoma mansoni hypothetical protein 0.0039 0.0382 0.0909
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.0336 0.4206 0.4206
Brugia malayi Pepsin A precursor 0.0012 0.0035 0.0082
Brugia malayi UDP-GlcNAc:a-6-D-mannoside b1,2-N-acetylglucosaminyltransferase II 0.0336 0.4206 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0036 0.0337 0.0801
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0153 0.184 0.4374
Trypanosoma cruzi cyclin, putative 0.002 0.0127 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.002 0.0127 0.5
Giardia lamblia Hypothetical protein 0.002 0.0127 0.5
Schistosoma mansoni cyclin B 0.002 0.0127 0.0303
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.017 1

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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