Detailed information for compound 409672

Basic information

Technical information
  • TDR Targets ID: 409672
  • Name: (2S)-2-amino-3-(4-aminophenyl)-N-hydroxypropa namide
  • MW: 195.218 | Formula: C9H13N3O2
  • H donors: 4 H acceptors: 2 LogP: -0.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H](Cc1ccc(cc1)N)N
  • InChi: 1S/C9H13N3O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,10-11H2,(H,12,13)/t8-/m0/s1
  • InChiKey: NEUCJQSTMITBGC-QMMMGPOBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-3-(4-aminophenyl)propanehydroxamic acid
  • (2S)-3-(4-aminophenyl)-2-azanyl-N-hydroxy-propanamide
  • (2S)-2-amino-3-(4-aminophenyl)-N-hydroxy-propanamide

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 multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0037 0.0031
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0037 0.0293
Echinococcus granulosus muscleblind protein 0.0146 0.0965 0.096
Echinococcus multilocularis dual specificity 0.0096 0.061 0.0605
Loa Loa (eye worm) BRM protein 0.0042 0.0225 0.108
Echinococcus multilocularis Chromo domain 0.0011 0.0008 0.0002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0392 0.1214
Trichomonas vaginalis glutaminase, putative 0.0294 0.2018 1
Brugia malayi BRM protein 0.0066 0.0394 0.1708
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0392 0.1214
Schistosoma mansoni hypothetical protein 0.0015 0.0037 0.0031
Brugia malayi Protein kinase domain containing protein 0.0096 0.061 0.2664
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0401 0.2782 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.012 0.0781 0.0775
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0102 0.14
Loa Loa (eye worm) glutaminase 0.0294 0.2018 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.1771 0.8771
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0129
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0102 0.9464
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0096 0.061 1
Brugia malayi hypothetical protein 0.0025 0.0102 0.0418
Schistosoma mansoni flap endonuclease-1 0.0023 0.0091 0.0085
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0037 0.0144
Schistosoma mansoni hypothetical protein 0.0011 0.0008 0.0002
Leishmania major hypothetical protein, conserved 0.0025 0.0102 0.1141
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0096 0.061 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0102 0.2615
Loa Loa (eye worm) hypothetical protein 0.0095 0.0607 0.2977
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0102 0.9464
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0061 0.0705
Loa Loa (eye worm) hypothetical protein 0.0025 0.0102 0.0469
Echinococcus granulosus tar DNA binding protein 0.0068 0.0412 0.0406
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0108 0.0102
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0102 0.7605
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0061 0.0056
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0061 0.0056
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0061 0.0705
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.061 1
Schistosoma mansoni microtubule-associated protein tau 0.1416 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0037 0.0031
Mycobacterium ulcerans glutaminase 0.0294 0.2018 0.7192
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0392 0.0386
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0061 0.0705
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0061 0.0236
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.061 0.0605
Echinococcus multilocularis neuropeptide receptor A26 0.0456 0.3173 0.3169
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0108 0.1499
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0037 0.0947
Echinococcus granulosus neuropeptide s receptor 0.0456 0.3173 0.3169
Schistosoma mansoni hypothetical protein 0.0033 0.0164 0.0158
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0757 0.3724
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0135 0.0129
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0392 0.1214
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0037 0.0293
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0037 0.2755
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0102 0.1141
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0108 0.1242
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0401 0.2782 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0135 0.3439
Brugia malayi RNA binding protein 0.0068 0.0412 0.1787
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0274 0.1321
Echinococcus granulosus flap endonuclease 1 0.0025 0.0108 0.0102
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0392 0.0386
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Loa Loa (eye worm) hypothetical protein 0.0019 0.0061 0.0265
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0037 0.0031
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0135 0.0129
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0412 0.2009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0102 0.1141
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0061 0.0056
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0037 0.0128
Brugia malayi glutaminase DH11.1 0.0294 0.2018 0.8898
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0401 0.2782 1
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0108 0.0498
Entamoeba histolytica protein kinase, putative 0.0096 0.061 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0164 0.0776
Loa Loa (eye worm) glutaminase 2 0.0294 0.2018 1
Mycobacterium ulcerans hypothetical protein 0.0401 0.2782 1
Plasmodium falciparum flap endonuclease 1 0.0025 0.0108 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0412 0.0406
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0037 0.3429
Echinococcus multilocularis GPCR, family 2 0.0015 0.0037 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0129
Schistosoma mansoni hypothetical protein 0.0182 0.1224 0.1218
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Mycobacterium ulcerans putative regulatory protein 0.0401 0.2782 1
Loa Loa (eye worm) RNA binding protein 0.0068 0.0412 0.2009
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.061 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Brugia malayi MH2 domain containing protein 0.0117 0.0757 0.3313
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0108 0.0854
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0401 0.2782 1
Echinococcus granulosus Chromo domain 0.0011 0.0008 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0037 0.0031
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0037 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Schistosoma mansoni hypothetical protein 0.0015 0.0037 0.0031
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0037 0.0128
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0757 0.3724
Echinococcus granulosus dna polymerase kappa 0.0019 0.0061 0.0056
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0401 0.2782 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0061 0.0424
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0108 0.8036
Schistosoma mansoni hypothetical protein 0.0011 0.0008 0.0002
Leishmania major DNA polymerase eta, putative 0.0019 0.0061 0.0424
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0412 0.0406
Echinococcus multilocularis neuropeptide s receptor 0.0456 0.3173 0.3169
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0412 0.0406
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0037 0.0031
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.2059
Echinococcus multilocularis global transcription activator snf2l2 0.0066 0.0394 0.0388
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0037 0.0031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0412 0.2009
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0401 0.2782 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0129
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0412 0.0406
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Entamoeba histolytica protein kinase, putative 0.0096 0.061 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0135 0.0129
Plasmodium vivax SET domain protein, putative 0.0029 0.0135 1
Brugia malayi Flap endonuclease-1 0.0025 0.0108 0.0443
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0274 0.1175
Brugia malayi Pre-SET motif family protein 0.0203 0.1373 0.6042
Schistosoma mansoni helicase 0.0066 0.0394 0.0388
Loa Loa (eye worm) hypothetical protein 0.0146 0.0965 0.476
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0392 0.1292
Schistosoma mansoni hypothetical protein 0.0015 0.0037 0.0031
Loa Loa (eye worm) hypothetical protein 0.0146 0.0965 0.476
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0037 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0412 0.0406
Loa Loa (eye worm) hypothetical protein 0.0049 0.0274 0.1321
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0037 0.0947
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0011 0.0008 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0037 0.0143
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0401 0.2782 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0918 0.4526
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.061 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0108 0.2763
Schistosoma mansoni hypothetical protein 0.0015 0.0037 0.0031
Trypanosoma brucei unspecified product 0.0019 0.0061 0.0705
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0108 0.0478
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0061 0.0056
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0061 0.0705
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0401 0.2782 1
Brugia malayi hypothetical protein 0.0016 0.004 0.0143
Echinococcus granulosus geminin 0.0182 0.1224 0.1218
Echinococcus granulosus dual specificity 0.0096 0.061 0.0605
Brugia malayi TAR-binding protein 0.0068 0.0412 0.1787
Loa Loa (eye worm) BRM protein 0.0034 0.0169 0.0798
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0127 0.0121
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0061 0.0245
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0412 0.1787
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1373 0.679
Schistosoma mansoni DNA polymerase eta 0.0019 0.0061 0.0056
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0135 0.0129
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0061 0.0424
Echinococcus granulosus global transcription activator snf2l2 0.0066 0.0394 0.0388
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0061 0.0245
Schistosoma mansoni glutaminase 0.0294 0.2018 0.2014
Mycobacterium ulcerans two component transcriptional regulator 0.0401 0.2782 1
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0401 0.2782 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0061 0.0424
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0096 0.061 0.2994
Echinococcus granulosus neuropeptide receptor A26 0.0456 0.3173 0.3169
Echinococcus granulosus dna polymerase eta 0.0019 0.0061 0.0056
Echinococcus multilocularis muscleblind protein 0.0146 0.0965 0.096
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0061 0.0424
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0108 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0061 0.0705
Brugia malayi isocitrate dehydrogenase 0.0015 0.0037 0.0128
Entamoeba histolytica hypothetical protein 0.0096 0.061 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0135 0.063
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0061 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0164 0.069
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0037 0.0031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0392 0.0386
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0412 0.0406
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0392 0.0386
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0012 0.0012 0.0315
Loa Loa (eye worm) hypothetical protein 0.0095 0.0607 0.2977
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0037 0.0128
Onchocerca volvulus 0.0231 0.1573 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0329 0.2267 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0037 0.0143
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0061 0.0265
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0061 0.0424
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0108 0.1242
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0392 1
Echinococcus multilocularis BRK domain 0.0011 0.0008 0.0002
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0037 0.0031
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0061 0.0424
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0061 0.0236
Echinococcus multilocularis geminin 0.0182 0.1224 0.1218
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0037 0.0031
Echinococcus multilocularis dna polymerase eta 0.0019 0.0061 0.0056
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0965 0.096
Echinococcus granulosus BRK domain containing protein 0.0011 0.0008 0.0002
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0061 0.0424
Brugia malayi Pre-SET motif family protein 0.0029 0.0135 0.056
Brugia malayi Muscleblind-like protein 0.0146 0.0965 0.4236
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0008 0.0002
Echinococcus granulosus GPCR family 2 0.0015 0.0037 0.0031
Echinococcus multilocularis microtubule associated protein 2 0.1416 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0061 0.0089
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0274 0.1175
Schistosoma mansoni hypothetical protein 0.0182 0.1224 0.1218
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1573 0.7779
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0392 0.6191
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0061 0.0089

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 47 uM Inhibition of CSK measured as poly-E4Y phosphorylation by acid precipitation assay in presence of 0.2 mM CoCl2 ChEMBL. 17149882
IC50 (functional) = 47 uM Inhibition of CSK measured as poly-E4Y phosphorylation by acid precipitation assay in presence of 0.2 mM CoCl2 ChEMBL. 17149882

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

1 literature reference was collected for this gene.

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