Detailed information for compound 649365

Basic information

Technical information
  • TDR Targets ID: 649365
  • Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]pipera zin-1-yl]-(3-methylphenyl)methanone
  • MW: 380.44 | Formula: C21H24N4O3
  • H donors: 1 H acceptors: 3 LogP: 4.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC1CC1)[N+](=O)[O-]
  • InChi: 1S/C21H24N4O3/c1-15-3-2-4-16(13-15)21(26)24-11-9-23(10-12-24)18-7-8-20(25(27)28)19(14-18)22-17-5-6-17/h2-4,7-8,13-14,17,22H,5-6,9-12H2,1H3
  • InChiKey: PCEZSUQBLYNCFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
  • [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(3-methylphenyl)methanone
  • A3007/0126698
  • ZINC04409208
  • Oprea1_650547
  • AG-670/40809155

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
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.4973 0.4922
Loa Loa (eye worm) hypothetical protein 0.0031 0.163 0.1191
Loa Loa (eye worm) hypothetical protein 0.0035 0.2019 0.1625
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Schistosoma mansoni hypothetical protein 0.0031 0.163 0.113
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.5052 0.5011
Leishmania major trypanothione reductase 0.0038 0.2262 1
Echinococcus granulosus short transient receptor potential channel 6 0.0069 0.5137 0.5831
Trypanosoma brucei unspecified product 0.002 0.0563 0.2488
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5052 0.4757
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Echinococcus multilocularis transient receptor potential ion channel A 0.0101 0.8085 0.959
Loa Loa (eye worm) hypothetical protein 0.0067 0.4973 0.4922
Echinococcus multilocularis transient receptor potential gamma protein 0.0104 0.8407 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0069 0.5137 0.5831
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0563 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0104 0.8407 0.8312
Echinococcus granulosus TRP transient receptor potential channel 0.0039 0.2341 0.2267
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.2262 0.2395
Echinococcus multilocularis GPCR, family 2 0.0031 0.163 0.136
Brugia malayi Thioredoxin reductase 0.0038 0.2262 0.1897
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5052 0.4757
Loa Loa (eye worm) RNA binding protein 0.0068 0.5052 0.5011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.163 0.136
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0563 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.6763 0.8739
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0563 0.2488
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.2262 1
Schistosoma mansoni hypothetical protein 0.0031 0.163 0.113
Brugia malayi RNA binding protein 0.0068 0.5052 0.5011
Loa Loa (eye worm) hypothetical protein 0.0039 0.2341 0.1985
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5052 0.4757
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0563 0.2488
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0563 0.2488
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0563 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.9523 1
Brugia malayi TAR-binding protein 0.0068 0.5052 0.5011
Plasmodium vivax glutathione reductase, putative 0.0038 0.2262 0.5
Mycobacterium tuberculosis Probable reductase 0.0086 0.6763 0.8739
Loa Loa (eye worm) glutathione reductase 0.0038 0.2262 0.1897
Echinococcus granulosus short transient receptor potential channel 6 0.0069 0.5137 0.5831
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.2309 0.2226
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.6763 0.8739
Schistosoma mansoni transient receptor potential channel 0.0069 0.5137 0.4847
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.7853 0.8137
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.6763 0.8739
Loa Loa (eye worm) hypothetical protein 0.0104 0.8407 0.8755
Schistosoma mansoni hypothetical protein 0.0031 0.163 0.113
Loa Loa (eye worm) hypothetical protein 0.0098 0.7853 0.8137
Brugia malayi MH2 domain containing protein 0.0116 0.9523 1
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.2262 0.5
Brugia malayi Transient-receptor-potential like protein 0.0039 0.2341 0.1985
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.2262 0.1897
Brugia malayi Latrophilin receptor protein 2 0.0031 0.163 0.1191
Echinococcus granulosus transient receptor potential gamma protein 0.0104 0.8407 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0563 0.5
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0039 0.2341 0.2267
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Loa Loa (eye worm) hypothetical protein 0.0065 0.4815 0.4746
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0563 0.2488
Plasmodium falciparum glutathione reductase 0.0038 0.2262 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0563 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.7657 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.7657 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.163 0.136
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5052 0.4757
Giardia lamblia DINP protein human, muc B family 0.002 0.0563 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.7657 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.5052 0.5011
Schistosoma mansoni transient receptor potential channel 0.0104 0.8407 0.8312
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.7853 0.8137
Echinococcus granulosus tar DNA binding protein 0.0068 0.5052 0.5723
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.5052 0.5011
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.6763 0.8739
Schistosoma mansoni transient receptor potential channel 0.0069 0.5137 0.4847
Echinococcus granulosus GPCR family 2 0.0031 0.163 0.136
Schistosoma mansoni hypothetical protein 0.0031 0.163 0.113
Plasmodium falciparum thioredoxin reductase 0.0038 0.2262 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Brugia malayi glutathione reductase 0.0038 0.2262 0.1897
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.2309 0.2226
Echinococcus multilocularis short transient receptor potential channel 6 0.0069 0.5137 0.5831
Schistosoma mansoni hypothetical protein 0.0067 0.4973 0.4673
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5052 0.4757
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.6763 0.8739
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.7657 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.7853 0.8137
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0563 0.2488
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.163 0.1191
Toxoplasma gondii thioredoxin reductase 0.0038 0.2262 0.5
Echinococcus multilocularis tar DNA binding protein 0.0068 0.5052 0.5723
Trypanosoma brucei trypanothione reductase 0.0038 0.2262 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.163 0.136
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.163 0.136
Echinococcus granulosus transient receptor potential ion channel A 0.0101 0.8085 0.959
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.9523 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.163 0.1191

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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