Detailed information for compound 556734

Basic information

Technical information
  • TDR Targets ID: 556734
  • Name: 4,5-dimethoxybenzene-1,2-diamine
  • MW: 168.193 | Formula: C8H12N2O2
  • H donors: 2 H acceptors: 0 LogP: 0.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(N)c(cc1OC)N
  • InChi: 1S/C8H12N2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,9-10H2,1-2H3
  • InChiKey: SKIUVOVOIJBJPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2-amino-4,5-dimethoxy-phenyl)amine
  • 1,2-diamino-4,5-dimethoxybenzene
  • 27841-33-4
  • 1,2-Benzenediamine, 4,5-dimethoxy-
  • 4,5-Dimethoxy-1,2-diaminobenzene
  • DADMB
  • STT-00318491
  • ZINC01724193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2778 0.6343
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.208 0.6613
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0529 1
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0529 1
Echinococcus multilocularis neuropeptide s receptor 0.0462 1 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0412 0.7792
Echinococcus granulosus pyruvate kinase 0.0034 0.0529 0.0529
Plasmodium falciparum pyruvate kinase 0.0034 0.0529 0.2768
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 0.5
Schistosoma mansoni pyruvate kinase 0.0034 0.0529 0.1208
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0474 0.8501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2778 0.2778
Schistosoma mansoni pyruvate kinase 0.0034 0.0529 0.1208
Leishmania major pyruvate kinase 0.0034 0.0529 0.1013
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2585 0.822
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0474 0.1509
Echinococcus multilocularis pyruvate kinase 0.0027 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.0104 0.208 0.6613
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1015 0.1015
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0932 0.2963
Echinococcus granulosus flap endonuclease 1 0.0031 0.0474 0.0474
Brugia malayi Flap endonuclease-1 0.0031 0.0474 0.1509
Plasmodium falciparum flap endonuclease 1 0.0031 0.0474 0.2353
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0529 1
Brugia malayi PHD-finger family protein 0.0029 0.0412 0.1311
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0529 1
Brugia malayi MH2 domain containing protein 0.0121 0.2465 0.7838
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0529 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0546 0.1246
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2585 0.822
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1015 1
Schistosoma mansoni hypothetical protein 0.0048 0.0844 0.1926
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1015 0.3228
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0366 0.1532
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1015 0.5092
Echinococcus multilocularis neuropeptide receptor A26 0.0462 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0474 0.2353
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0034 0.0529 0.1683
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0164 0.0164
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2778 0.6343
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0006 0.0018
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.1854 0.1854
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2585 0.822
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0474 0.2353
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0529 0.146
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0412 0.1883
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0529 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0529 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1484 1
Echinococcus multilocularis GPCR, family 2 0.0048 0.0844 0.0844
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1428 0.326
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0844 0.0844
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0844 0.2683
Echinococcus granulosus neuropeptide receptor 0.0208 0.4379 0.4379
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2465 0.7838
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2778 0.2778
Echinococcus multilocularis pyruvate kinase 0.0034 0.0529 0.0529
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2778 0.6343
Brugia malayi jmjC domain containing protein 0.0094 0.1854 0.5896
Brugia malayi RNA binding protein 0.0127 0.2585 0.822
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0302 0.0961
Leishmania major pyruvate kinase 0.0034 0.0529 0.1013
Loa Loa (eye worm) RNA binding protein 0.0127 0.2585 0.822
Echinococcus multilocularis pyruvate kinase 0.0017 0.0164 0.0164
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0412 0.0412
Echinococcus multilocularis pyruvate kinase 0.0017 0.0164 0.0164
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0546 0.0546
Echinococcus granulosus pyruvate kinase 0.0034 0.0529 0.0529
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0844 0.0844
Schistosoma mansoni hypothetical protein 0.0048 0.0844 0.1926
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0896 0.7553
Echinococcus multilocularis neuropeptide receptor 0.0208 0.4379 0.4379
Echinococcus multilocularis peregrin 0.0029 0.0412 0.0412
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.2778 0.8833
Giardia lamblia PHD finger protein 15 0.0029 0.0412 0.6802
Loa Loa (eye worm) hypothetical protein 0.0024 0.0302 0.0961
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0529 0.2768
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0896 0.7553
Echinococcus granulosus tar DNA binding protein 0.0127 0.2585 0.2585
Loa Loa (eye worm) hypothetical protein 0.0152 0.3145 1
Toxoplasma gondii hypothetical protein 0.0027 0.0366 0.1532
Brugia malayi TAR-binding protein 0.0127 0.2585 0.822
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2585 0.5903
Brugia malayi Probable ClpP-like protease 0.0077 0.1484 0.4718
Loa Loa (eye worm) hypothetical protein 0.0077 0.1484 0.4718
Loa Loa (eye worm) hypothetical protein 0.0029 0.0412 0.1311
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0529 0.1683
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0844 0.2683
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0546 0.1735
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2465 0.7838
Echinococcus multilocularis pyruvate kinase 0.0034 0.0529 0.0529
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.1854 0.1854
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0412 0.1883
Loa Loa (eye worm) hypothetical protein 0.0049 0.0865 0.2751
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1087 0.3457
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0844 0.2683
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0529 0.1683
Echinococcus granulosus pyruvate kinase 0.0017 0.0164 0.0164
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0412 0.0942
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0412 0.0412
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0896 0.0896
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0529 0.1683
Giardia lamblia Pyruvate kinase 0.0034 0.0529 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0529 1
Schistosoma mansoni hypothetical protein 0.0029 0.0412 0.0942
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1484 0.1484
Echinococcus granulosus jumonji domain containing protein 0.004 0.0661 0.0661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.3145 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0529 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0412 0.1311
Schistosoma mansoni flap endonuclease-1 0.0028 0.0408 0.0931
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2585 0.2585
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.3145 1
Schistosoma mansoni neuropeptide receptor 0.0208 0.4379 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.1555 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0844 0.0844
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0546 0.0546
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.1555 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1015 0.1015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0546 0.1246
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0896 0.4744
Schistosoma mansoni hypothetical protein 0.0048 0.0844 0.1926
Loa Loa (eye worm) hypothetical protein 0.008 0.1555 0.4945
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1015 0.5092
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0896 0.0896
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.3145 1
Schistosoma mansoni hypothetical protein 0.0104 0.208 0.4749
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.1484 0.3388
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1015 0.2318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2778 0.2778
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0474 0.1375
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0366 0.1532
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2585 0.5903
Loa Loa (eye worm) hypothetical protein 0.0048 0.0844 0.2683
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0529 0.1683
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0529 0.1683
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0529 0.2768
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Plasmodium falciparum phd finger protein, putative 0.0029 0.0412 0.1883
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1484 0.1484
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2585 0.5903
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2585 0.5903
Schistosoma mansoni pyruvate kinase 0.0017 0.0164 0.0374
Schistosoma mansoni hypothetical protein 0.0048 0.0844 0.1926
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0844 0.0844
Echinococcus granulosus pyruvate kinase 0.0017 0.0164 0.0164
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.2778 0.8833
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2778 0.2778
Brugia malayi jmjC domain containing protein 0.0035 0.0546 0.1735
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0474 0.0474
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1484 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.1015 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0412 0.1883
Echinococcus granulosus peregrin 0.0029 0.0412 0.0412
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1484 1
Echinococcus granulosus GPCR family 2 0.0048 0.0844 0.0844
Brugia malayi Bromodomain containing protein 0.0029 0.0412 0.1311
Echinococcus multilocularis pyruvate kinase 0.0017 0.0164 0.0164
Echinococcus granulosus neuropeptide receptor A26 0.0462 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1484 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2585 0.5903
Echinococcus multilocularis G protein coupled receptor 139 0.0208 0.4379 0.4379
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1484 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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