Detailed information for compound 625102

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.78 | Formula: C17H15ClN4O
  • H donors: 1 H acceptors: 1 LogP: 2.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc2c(C)cccn2c(=O)c1C=Nc1ccc(cc1)Cl
  • InChi: 1S/C17H15ClN4O/c1-11-4-3-9-22-16(11)21-15(19-2)14(17(22)23)10-20-13-7-5-12(18)6-8-13/h3-10,19H,1-2H3/b20-10+
  • InChiKey: ZIPPFLDNILMOTF-KEBDBYFISA-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
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0966 0.3569
Schistosoma mansoni bromodomain containing protein 0.0071 0.2197 0.396
Loa Loa (eye worm) hypothetical protein 0.0031 0.0388 0.0388
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0966 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0966 0.3569
Loa Loa (eye worm) hypothetical protein 0.0067 0.2005 0.2005
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0725 0.1206
Schistosoma mansoni hypothetical protein 0.0031 0.0388 0.0576
Schistosoma mansoni hypothetical protein 0.0031 0.0388 0.0576
Loa Loa (eye worm) hypothetical protein 0.0076 0.2402 0.2402
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.5424 0.5259
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.2005 0.1716
Loa Loa (eye worm) RNA binding protein 0.0123 0.4553 0.4553
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1228 0.4744
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4553 0.8369
Echinococcus multilocularis zinc finger protein 0.0024 0.0092 0.0022
Loa Loa (eye worm) hypothetical protein 0.0041 0.0842 0.0842
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1015 0.069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1015 0.1749
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.4553 0.4553
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0725 0.1276
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2402 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.24 0.24
Schistosoma mansoni hypothetical protein 0.0031 0.0388 0.0576
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1015 0.1749
Brugia malayi Probable ClpP-like protease 0.0076 0.2402 0.2128
Echinococcus multilocularis GPCR, family 2 0.0031 0.0388 0.0576
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.2024 0.3847
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.2402 0.4345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1015 0.185
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.2402 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1228 0.5
Brugia malayi RNA binding protein 0.0123 0.4553 0.4356
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0388 0.0388
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 1 1
Brugia malayi TAR-binding protein 0.0123 0.4553 0.4356
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0697 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.5133 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.3398 0.3398
Brugia malayi Bromodomain containing protein 0.0083 0.2761 0.2499
Loa Loa (eye worm) hypothetical protein 0.0047 0.1111 0.1111
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.3398 0.3159
Loa Loa (eye worm) hypothetical protein 0.0049 0.1203 0.1203
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1228 0.2148
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.5424 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0697 0.2366
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0388 0.0576
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1228 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0388 0.0576
Loa Loa (eye worm) transcription factor SMAD2 0.0244 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1015 0.1749
Echinococcus granulosus tar DNA binding protein 0.0123 0.4553 0.8851
Loa Loa (eye worm) TAR-binding protein 0.0123 0.4553 0.4553
Schistosoma mansoni zinc finger protein 0.0024 0.0092 0.0022
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0966 0.3569
Schistosoma mansoni hypothetical protein 0.0067 0.2005 0.3601
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0388 0.004
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.2402 0.4595
Echinococcus granulosus GPCR family 2 0.0031 0.0388 0.0609
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4553 0.8369
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.3398 0.3159
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0388 0.0609
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4553 0.8369
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2402 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4553 0.8369
Loa Loa (eye worm) acetyltransferase 0.0143 0.5424 0.5424
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.2402 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.2024 0.3638
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0388 0.0576
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0388 0.004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1015 0.1749
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1228 0.2272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1015 0.185
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.4553 0.4356
Schistosoma mansoni tar DNA-binding protein 0.0123 0.4553 0.8369
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.2402 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0388 0.0609
Loa Loa (eye worm) hypothetical protein 0.0098 0.3398 0.3398
Echinococcus multilocularis tar DNA binding protein 0.0123 0.4553 0.8369
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.5424 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0697 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0966 0.1753
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0966 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1015 0.1749
Echinococcus granulosus zinc finger protein 0.0024 0.0092 0.0023
Brugia malayi Bromodomain containing protein 0.0044 0.0994 0.0668
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1015 0.1015
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.2402 0.4345

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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