Detailed information for compound 928865

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.288 | Formula: C20H17Cl2N5O
  • H donors: 2 H acceptors: 3 LogP: 4.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(Nc2ccccc2)nc2c1CC(C(=O)N2C)c1c(Cl)cccc1Cl
  • InChi: 1S/C20H17Cl2N5O/c1-27-18-13(10-12(19(27)28)16-14(21)8-5-9-15(16)22)17(23)25-20(26-18)24-11-6-3-2-4-7-11/h2-9,12H,10H2,1H3,(H3,23,24,25,26)
  • InChiKey: AHGSDSGHEDXXDI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0175 0.0896 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0762 0.4632 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0055 0.0131 0.0722
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0175 0.0896 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0012 0.0014
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0175 0.0896 0.706
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0767 0.6026
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0044 0.0189
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0055 0.0131 0.134
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.1654 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0146 0.0709 0.1531
Trypanosoma cruzi cytochrome P450, putative 0.0055 0.0131 0.0722
Leishmania major cytochrome p450-like protein 0.0055 0.0131 0.0722
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0294 0.1654 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0012 0.0027
Loa Loa (eye worm) fli-1 protein 0.0214 0.1144 0.247
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0055 0.0131 0.0722
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0175 0.0896 0.706
Loa Loa (eye worm) cytochrome P450 0.0055 0.0131 0.0283
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0055 0.0131 0.0946
Brugia malayi Fli-1 protein 0.0214 0.1144 0.247
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0044 0.0189
Loa Loa (eye worm) beta-lactamase 0.0037 0.0012 0.0027
Mycobacterium ulcerans hypothetical protein 0.0155 0.0767 0.8535
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0012 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0131 0.0146
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0175 0.0896 1
Schistosoma mansoni dopamine-beta-monooxygenase 0.1443 0.8967 1
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0229 0.0469
Toxoplasma gondii hypothetical protein 0.0047 0.0082 0.007
Mycobacterium leprae Conserved hypothetical protein 0.0055 0.0131 0.134
Echinococcus multilocularis neuropeptide s receptor 0.0478 0.2826 0.609
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0044 0.0189
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0175 0.0896 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0762 0.4632 1
Loa Loa (eye worm) hypothetical protein 0.0762 0.4632 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0667 0.3987
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0131 0.0283
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0175 0.0896 0.706
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0012 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0012 0.5
Leishmania major cytochrome p450-like protein 0.0055 0.0131 0.0722
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.1654 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0175 0.0896 0.706
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0012 0.0027
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0055 0.0131 0.0946
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0175 0.0896 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0055 0.0131 0.0722
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0175 0.0896 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0055 0.0131 0.0946
Brugia malayi beta-lactamase 0.0037 0.0012 0.0027
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0175 0.0896 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0762 0.4632 0.5166
Brugia malayi hypothetical protein 0.0306 0.1731 0.3736
Schistosoma mansoni hypothetical protein 0.0172 0.0874 0.0974
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0055 0.0131 0.134
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0229 0.0469
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0551 0.1189
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0175 0.0896 0.706
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Mycobacterium leprae putative cytochrome p450 0.0175 0.0896 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0667 0.3987
Schistosoma mansoni ets-related 0.0214 0.1144 0.1276
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0551 0.1189
Brugia malayi DOMON domain containing protein 0.0146 0.0709 0.1531
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0055 0.0131 0.0722
Brugia malayi beta-lactamase family protein 0.0037 0.0012 0.0027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0012 0.0014
Loa Loa (eye worm) DOMON domain-containing protein 0.0146 0.0709 0.1531
Leishmania major mitochondrial DNA polymerase beta 0.0294 0.1654 1
Brugia malayi beta-lactamase family protein 0.0037 0.0012 0.0027
Brugia malayi Ets-domain containing protein 0.0071 0.0229 0.0495
Echinococcus granulosus cytochrome P450 2K1 0.0055 0.0131 0.0256
Loa Loa (eye worm) hypothetical protein 0.0306 0.1731 0.3736
Brugia malayi Cytochrome P450 family protein 0.0055 0.0131 0.0283
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0101 0.0541
Trypanosoma brucei cytochrome P450, putative 0.0055 0.0131 0.0722
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0044 0.0189
Brugia malayi Cytochrome P450 family protein 0.0055 0.0131 0.0283
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0055 0.0131 0.134
Schistosoma mansoni gabp alpha 0.0071 0.0229 0.0256
Brugia malayi DOMON domain containing protein 0.0146 0.0709 0.1531
Echinococcus granulosus geminin 0.0172 0.0874 0.1864
Schistosoma mansoni hypothetical protein 0.0172 0.0874 0.0974
Schistosoma mansoni cytochrome P450 0.0055 0.0131 0.0146
Brugia malayi Cytochrome P450 family protein 0.0055 0.0131 0.0283
Onchocerca volvulus 0.0306 0.1731 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0055 0.0131 0.0946
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0175 0.0896 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0375 0.217 0.4684
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Loa Loa (eye worm) CYP4Cod1 0.0055 0.0131 0.0283
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0131 0.0283
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0055 0.0131 0.0946
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0762 0.4632 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0175 0.0896 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0055 0.0131 0.0946
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0055 0.0131 0.0946
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0012 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0387 0.2242 0.4841
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0131 0.0283
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0175 0.0896 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0667 0.3987
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0229 0.0495
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0546 0.4258
Echinococcus granulosus neuropeptide s receptor 0.0478 0.2826 0.609
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0175 0.0896 0.706
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0175 0.0896 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0102 0.022
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0175 0.0896 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0762 0.4632 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0164 0.0354
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.1265 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0102 0.022
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0175 0.0896 0.706
Brugia malayi MH2 domain containing protein 0.0121 0.0551 0.1189
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0055 0.0131 0.134
Mycobacterium ulcerans oxidoreductase 0.012 0.0546 0.6031
Brugia malayi Cytochrome P450 family protein 0.0055 0.0131 0.0283
Echinococcus multilocularis 0.0055 0.0131 0.0256
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0055 0.0131 0.0946
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0102 0.022
Brugia malayi DOMON domain containing protein 0.0146 0.0709 0.1531
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0012 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0175 0.0896 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0102 0.022
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0012 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0055 0.0131 0.0946
Trypanosoma cruzi cytochrome P450, putative 0.0055 0.0131 0.0722
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0055 0.0131 0.0946
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0175 0.0896 1
Echinococcus granulosus neuropeptide receptor A26 0.0478 0.2826 0.609
Echinococcus multilocularis geminin 0.0172 0.0874 0.1864
Trichomonas vaginalis esterase, putative 0.0037 0.0012 0.5
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0175 0.0896 1
Onchocerca volvulus 0.0146 0.0709 0.4054
Leishmania major cytochrome p450-like protein 0.0055 0.0131 0.0722
Loa Loa (eye worm) DOMON domain-containing protein 0.0146 0.0709 0.1531
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0175 0.0896 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0175 0.0896 0.706
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0027
Onchocerca volvulus 0.0146 0.0709 0.4054
Echinococcus multilocularis neuropeptide receptor A26 0.0478 0.2826 0.609
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0175 0.0896 0.706
Loa Loa (eye worm) hypothetical protein 0.0762 0.4632 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0175 0.0896 0.706
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0055 0.0131 0.134
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0055 0.0131 0.0722
Brugia malayi Ets-domain containing protein 0.0071 0.0229 0.0495
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0762 0.4632 0.5166
Brugia malayi cytochrome P450 0.0055 0.0131 0.0283

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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