Detailed information for compound 1016156

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.787 | Formula: C22H21Cl3N4O2
  • H donors: 2 H acceptors: 3 LogP: 6.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NC(=O)NC(C)(C)C
  • InChi: 1S/C22H21Cl3N4O2/c1-12-18(20(30)26-21(31)27-22(2,3)4)28-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H2,26,27,30,31)
  • InChiKey: NTYBEEOJKCSIQW-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 chromobox protein 1 0.007 0.0391 0.0813
Echinococcus multilocularis methionine aminopeptidase, type I 0.0042 0.0035 0.0027
Schistosoma mansoni hypothetical protein 0.0179 0.1779 0.4757
Mycobacterium ulcerans aminopeptidase 0.0042 0.0035 0.0072
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0199 0.2033 0.4307
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0061 0.0274 0.0713
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0085 0.0077
Loa Loa (eye worm) hypothetical protein 0.0061 0.0274 0.0582
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0042 0.0035 0.0075
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Echinococcus multilocularis lysine specific demethylase 5A 0.0074 0.0437 0.0428
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0479 0.1001
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0042 0.0035 0.0072
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0085 0.0181
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0042 0.0035 0.0057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0085 0.0163
Brugia malayi Heterochromatin protein 1 0.007 0.0391 0.0831
Echinococcus multilocularis xaa Pro dipeptidase 0.0042 0.0035 0.0027
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0042 0.0035 0.0057
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0042 0.0035 0.0057
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0042 0.0035 0.0057
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Plasmodium vivax hypothetical protein, conserved 0.0061 0.0274 0.0511
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.0408 0.1074
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.2563 0.5435
Brugia malayi metallopeptidase family M24 containing protein 0.0042 0.0035 0.0075
Brugia malayi metallopeptidase family M24 containing protein 0.0042 0.0035 0.0075
Onchocerca volvulus Dipeptidase C homolog 0.0042 0.0035 0.1293
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.041 0.4708 1
Brugia malayi PHD-finger family protein 0.0061 0.0274 0.0582
Toxoplasma gondii hypothetical protein 0.0077 0.0479 0.1001
Trypanosoma cruzi aminopeptidase P, putative 0.0042 0.0035 0.0057
Entamoeba histolytica hypothetical protein, conserved 0.0042 0.0035 0.0669
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Loa Loa (eye worm) hypothetical protein 0.0104 0.0826 0.1755
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.0408 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0391 0.0383
Giardia lamblia PHD finger protein 15 0.0061 0.0274 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0126 0.0267
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0408 0.085
Loa Loa (eye worm) jmjC domain-containing protein 0.0126 0.1097 0.233
Schistosoma mansoni hypothetical protein 0.0049 0.0126 0.0314
Echinococcus multilocularis PHD finger protein rhinoceros 0.0061 0.0274 0.0266
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.041 0.4708 0.4703
Echinococcus granulosus jumonji domain containing protein 0.0085 0.0577 0.1209
Brugia malayi Methionine aminopeptidase protein type I 0.041 0.4708 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0085 0.0206
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Echinococcus multilocularis peregrin 0.0061 0.0274 0.0266
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0333 0.373 1
Brugia malayi metallopeptidase family M24 containing protein 0.0042 0.0035 0.0075
Echinococcus multilocularis xaa Pro dipeptidase 0.0042 0.0035 0.0027
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.041 0.4708 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0042 0.0035 0.0072
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0009 0.0223
Schistosoma mansoni chromobox protein 0.007 0.0391 0.1027
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.0408 0.085
Schistosoma mansoni hypothetical protein 0.0179 0.1779 0.4757
Loa Loa (eye worm) methionine aminopeptidase type I 0.041 0.4708 1
Schistosoma mansoni chromobox protein 0.007 0.0391 0.1027
Entamoeba histolytica aminopeptidase, putative 0.0042 0.0035 0.0669
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0333 0.373 1
Mycobacterium ulcerans methionine aminopeptidase 0.0333 0.373 1
Plasmodium falciparum HP12 protein homolog, putative 0.0077 0.0479 0.0949
Brugia malayi initiation factor 2-associated protein. 0.0042 0.0035 0.0075
Brugia malayi Inositol-1 0.004 0.0009 0.0019
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0038 0.0969
Echinococcus multilocularis jumonji domain containing protein 0.0085 0.0577 0.0569
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0009 0.0223
Echinococcus granulosus Proliferation associated protein 2G4 0.0042 0.0035 0.0057
Loa Loa (eye worm) hypothetical protein 0.0042 0.0035 0.0075
Entamoeba histolytica peptidase, putative 0.0042 0.0035 0.0669
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.0408 0.0867
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0479 0.1001
Loa Loa (eye worm) DNA-binding protein 0.0042 0.0035 0.0075
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0333 0.373 1
Onchocerca volvulus 0.0049 0.0126 0.4586
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0042 0.0035 0.0057
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0333 0.373 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0009 0.0223
Echinococcus multilocularis chromobox protein 1 0.007 0.0391 0.0383
Toxoplasma gondii PHD-finger domain-containing protein 0.0061 0.0274 0.0565
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0437 0.0911
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.041 0.4708 1
Chlamydia trachomatis methionine aminopeptidase 0.0333 0.373 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0026 0.0018
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0437 0.115
Plasmodium vivax methionine aminopeptidase 1b, putative 0.041 0.4708 1
Trypanosoma brucei Metallopeptidase family M24, putative 0.0042 0.0035 0.0057
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0042 0.0035 0.0057
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0026 0.0037
Toxoplasma gondii PHD-finger domain-containing protein 0.0061 0.0274 0.0565
Leishmania major hypothetical protein, conserved 0.0077 0.0479 0.1001
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0042 0.0035 0.0075
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Entamoeba histolytica methionine aminopeptidase, putative 0.0042 0.0035 0.0669
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0479 0.0949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0085 0.0206
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0042 0.0035 0.0027
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.041 0.4708 1
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0042 0.0035 0.0072
Loa Loa (eye worm) hypothetical protein 0.0042 0.0035 0.0075
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0199 0.2033 0.2026
Treponema pallidum methionine aminopeptidase (map) 0.0333 0.373 1
Echinococcus granulosus methionine aminopeptidase type I 0.0042 0.0035 0.0057
Echinococcus multilocularis geminin 0.0179 0.1779 0.1772
Echinococcus multilocularis xaa pro aminopeptidase 0.0042 0.0035 0.0027
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.2563 0.2556
Toxoplasma gondii peptidase D, putative 0.0042 0.0035 0.0057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0085 0.0181
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0042 0.0035 0.1293
Toxoplasma gondii methionine aminopeptidase 0.0333 0.373 0.7919
Echinococcus granulosus xaa pro aminopeptidase 0.0042 0.0035 0.0057
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0042 0.0035 0.0057
Leishmania major methionine aminopeptidase 2, putative 0.0042 0.0035 0.0057
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0038 0.1382
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0042 0.0035 0.0072
Echinococcus multilocularis FACT complex subunit SPT16 0.0042 0.0035 0.0027
Loa Loa (eye worm) hypothetical protein 0.0042 0.0035 0.0075
Echinococcus multilocularis Proliferation associated protein 2G4 0.0042 0.0035 0.0027
Trichomonas vaginalis chromobox protein, putative 0.007 0.0391 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.0408 0.085
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0408 0.085
Loa Loa (eye worm) inositol-1 0.004 0.0009 0.0019
Brugia malayi Bromodomain containing protein 0.0061 0.0274 0.0582
Trichomonas vaginalis chromobox protein, putative 0.007 0.0391 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0333 0.373 0.7919
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0042 0.0035 0.0669
Echinococcus granulosus methionyl aminopeptidase 2 0.0042 0.0035 0.0057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0085 0.0163
Onchocerca volvulus 0.0042 0.0035 0.1293
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0042 0.0035 0.0057
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.2479 0.6615
Echinococcus granulosus geminin 0.0179 0.1779 0.3768
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Toxoplasma gondii creatinase domain-containing protein 0.0042 0.0035 0.0057
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0333 0.373 0.3725
Echinococcus granulosus xaa Pro dipeptidase 0.0042 0.0035 0.0057
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Brugia malayi jmjC domain containing protein 0.0074 0.0437 0.0928
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0085 0.0077
Onchocerca volvulus Alhambra homolog 0.0061 0.0274 1
Mycobacterium ulcerans dipeptidase PepE 0.0042 0.0035 0.0072
Toxoplasma gondii methionine aminopeptidase 0.041 0.4708 1
Leishmania major hypothetical protein, conserved 0.0042 0.0035 0.0057
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.0408 0.04
Leishmania major transcription factor-like protein 0.0042 0.0035 0.0057
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0042 0.0035 0.0057
Toxoplasma gondii transcriptional elongation factor FACT140 0.0042 0.0035 0.0057
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.0408 0.0867
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.041 0.4708 1
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0042 0.0035 0.0057
Loa Loa (eye worm) hypothetical protein 0.0241 0.2563 0.5444
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0042 0.0035 0.0072
Schistosoma mansoni jumonji domain containing protein 0.0158 0.1512 0.404
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0042 0.0035 0.1293
Trypanosoma brucei methionine aminopeptidase, putative 0.041 0.4708 1
Brugia malayi jmjC domain containing protein 0.0199 0.2033 0.4317
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0333 0.373 1
Loa Loa (eye worm) PHD-finger family protein 0.0061 0.0274 0.0582
Schistosoma mansoni hypothetical protein 0.0061 0.0274 0.0713
Echinococcus granulosus PHD finger protein rhinoceros 0.0061 0.0274 0.0565
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0408 0.085
Mycobacterium ulcerans dipeptidase 0.0042 0.0035 0.0072
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0437 0.115
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0038 0.0969
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0042 0.0035 0.0072
Loa Loa (eye worm) initiation factor 2-associated protein 0.0042 0.0035 0.0075
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0333 0.373 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Plasmodium falciparum phd finger protein, putative 0.0061 0.0274 0.0511
Schistosoma mansoni survival motor neuron protein 0.0049 0.0126 0.0314
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Echinococcus granulosus xaa Pro dipeptidase 0.0042 0.0035 0.0057
Trypanosoma cruzi aminopeptidase P1, putative 0.0042 0.0035 0.0057
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0042 0.0035 0.0057
Brugia malayi hypothetical protein 0.0241 0.2563 0.5444
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0333 0.373 0.7907
Schistosoma mansoni peptidase 0.0042 0.0035 0.0072
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0333 0.373 0.7907
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.041 0.4708 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0333 0.373 1
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0391 0.0831
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0042 0.0035 0.0072
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0042 0.0035 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0085 0.0206
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0042 0.0035 0.0906
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0333 0.373 1
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0042 0.0035 0.0072
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0042 0.0035 0.0072
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0437 0.0928
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0479 0.1001
Echinococcus multilocularis methionyl aminopeptidase 2 0.0042 0.0035 0.0027
Echinococcus granulosus FACT complex subunit SPT16 0.0042 0.0035 0.0057
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.041 0.4708 1
Echinococcus granulosus chromobox protein 1 0.007 0.0391 0.0813
Echinococcus granulosus peregrin 0.0061 0.0274 0.0565

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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