Detailed information for compound 927284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.533 | Formula: C24H29N7O2
  • H donors: 1 H acceptors: 3 LogP: 1.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1Cn1c(=O)n(c2c1c(cc(n2)N1CCOCC1)N1CCC[C@H](C1)N)C
  • InChi: 1S/C24H29N7O2/c1-28-23-22(31(24(28)32)15-18-6-3-2-5-17(18)14-25)20(30-8-4-7-19(26)16-30)13-21(27-23)29-9-11-33-12-10-29/h2-3,5-6,13,19H,4,7-12,15-16,26H2,1H3/t19-/m1/s1
  • InChiKey: XKROIMRMBZMQNV-LJQANCHMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0319 0.1215 1
Brugia malayi TAR-binding protein 0.0064 0.0231 0.1903
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0067 0.0549
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0011 0.0035
Entamoeba histolytica Ran family GTPase 0.0021 0.0067 0.0146
Plasmodium falciparum carbonic anhydrase 0.0118 0.0442 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0067 0.0549
Mycobacterium ulcerans integral membrane transporter 0.0069 0.0253 0.0242
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0319 0.1215 0.2927
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0067 0.0065
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0067 0.0462
Echinococcus granulosus translational activator gcn1 0.0005 0.0007 0.0056
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.0547 0.4502
Loa Loa (eye worm) kap beta 3 protein 0.0005 0.0007 0.0056
Leishmania major DNA polymerase kappa, putative 0.0006 0.0011 0.001
Echinococcus granulosus carbonic anhydrase 0.0118 0.0442 0.3641
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0067 0.0145
Echinococcus multilocularis snurportin 1 0.0304 0.1159 0.9538
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0067 0.0496
Brugia malayi RNA, U transporter 1 0.0081 0.0299 0.2456
Schistosoma mansoni ran 0.0021 0.0067 0.0146
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0067 0.0496
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0011 0.0035
Echinococcus multilocularis carbonic anhydrase 0.0118 0.0442 0.3641
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0069 0.0253 0.2011
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0011 0.0098
Plasmodium vivax importin-beta 2, putative 0.0028 0.0096 0.3616
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0231 0.0544
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0151 0.3311
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0011 0.0035
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0551 0.2111 0.2585
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0067 0.0462
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0319 0.1215 1
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.0442 0.1055
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Mycobacterium ulcerans carbonic anhydrase 0.1076 0.4136 0.4129
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0067 0.0065
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0011 0.0035
Echinococcus multilocularis dna polymerase eta 0.0021 0.0067 0.0549
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0067 0.0145
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0231 0.0544
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0118 0.0442 0.3641
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0069 0.0253 0.2011
Leishmania major DNA polymerase eta, putative 0.0006 0.0011 0.001
Trypanosoma brucei carbonic anhydrase-like protein 0.0319 0.1215 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0.0011 0.0098
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0067 0.0056
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.0442 0.3641
Echinococcus granulosus importin subunit beta 1 0.0028 0.0096 0.0789
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0011 0.0035
Schistosoma mansoni hypothetical protein 0.0118 0.0442 0.1055
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0231 0.1903
Leishmania major GTP-binding protein, putative 0.0021 0.0067 0.0146
Echinococcus granulosus geminin 0.0167 0.0632 0.5199
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0067 0.0549
Trichomonas vaginalis ran, putative 0.0021 0.0067 0.0065
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.0442 0.1055
Echinococcus multilocularis transportin 1 0.0005 0.0007 0.0056
Loa Loa (eye worm) hypothetical protein 0.0006 0.0011 0.0091
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0497
Brugia malayi Importin beta-1 subunit 0.0028 0.0096 0.0789
Loa Loa (eye worm) hypothetical protein 0.0021 0.0067 0.0549
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0137 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0073
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.4423
Leishmania major DNA polymerase kappa, putative 0.0021 0.0067 0.0145
Trypanosoma brucei unspecified product 0.0014 0.0042 0.0288
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Brugia malayi polk-prov protein 0.0006 0.0011 0.0091
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0096 0.2045
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Onchocerca volvulus 0.0435 0.1663 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0096 0.0737
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0137 0.0316
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0069 0.0253 0.2039
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0319 0.1215 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0151 0.0149
Giardia lamblia DINP protein human, muc B family 0.0021 0.0067 0.4407
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0096 0.0789
Schistosoma mansoni hypothetical protein 0.0304 0.1159 0.2791
Echinococcus granulosus carbonic anhydrase II 0.0319 0.1215 1
Brugia malayi kap beta 3 protein 0.0005 0.0007 0.0056
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0042 0.0288
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0231 0.1903
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0073
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0069 0.0253 0.5656
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0319 0.1215 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.0547 0.4502
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0231 0.0544
Loa Loa (eye worm) hypothetical protein 0.0118 0.0442 0.3641
Echinococcus multilocularis carbonic anhydrase 0.0118 0.0442 0.3641
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0067 0.1379
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.0442 0.1055
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0319 0.1215 0.2927
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.0551
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0464
Loa Loa (eye worm) hypothetical protein 0.0118 0.0442 0.3641
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Entamoeba histolytica hypothetical protein 0.0023 0.0075 0.0165
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.2071 0.7976 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0067 0.0145
Plasmodium vivax sulfate transporter, putative 0.0069 0.0253 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1076 0.4136 1
Entamoeba histolytica carbonic anhydrase, putative 0.1076 0.4136 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0075 0.0165
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0067 0.0496
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0067 0.0549
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0067 0.0145
Leishmania major carbonic anhydrase-like protein 0.0319 0.1215 0.2927
Leishmania major DNA damage repair protein, putative 0.0006 0.0011 0.001
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0069 0.0253 0.0242
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0067 0.0462
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0151 0.0149
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0096 0.0737
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0067 0.0462
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0042 0.0288
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0075 0.0073
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0011 0.0035
Echinococcus granulosus transportin 1 0.0005 0.0007 0.0056
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Schistosoma mansoni DNA polymerase eta 0.0021 0.0067 0.0145
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0231 0.1903
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0067 0.0462
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0011 0.001
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0118 0.0442 0.3641
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.0531 0.4373
Loa Loa (eye worm) RNA binding protein 0.0064 0.0231 0.1903
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0151 0.3311
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0137 0.2995
Trichomonas vaginalis conserved hypothetical protein 0.2596 1 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0069 0.0253 0.0242
Echinococcus granulosus tar DNA binding protein 0.0064 0.0231 0.1903
Echinococcus multilocularis translational activator gcn1 0.0005 0.0007 0.0056
Schistosoma mansoni hypothetical protein 0.0167 0.0632 0.1514
Onchocerca volvulus Putative sulfate transporter 0.0435 0.1663 0.5
Echinococcus granulosus carbonic anhydrase 0.0118 0.0442 0.3641
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0319 0.1215 1
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0011 0.0035
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0151 0.5853
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Schistosoma mansoni hypothetical protein 0.0167 0.0632 0.1514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0464
Leishmania major DNA polymerase eta, putative 0.0021 0.0067 0.0145
Leishmania major carbonic anhydrase family protein, putative 0.1076 0.4136 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0042 0.0288
Loa Loa (eye worm) acetyltransferase 0.0145 0.0547 0.4502
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.0442 0.3641
Loa Loa (eye worm) hypothetical protein 0.0028 0.0096 0.0789
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.0442 0.3641
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0067 0.0496
Trypanosoma brucei unspecified product 0.0014 0.0042 0.0288
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0075 0.0532
Echinococcus multilocularis carbonic anhydrase II 0.0319 0.1215 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.1159 0.9538
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.1027 0.3948 0.4907
Schistosoma mansoni ran 0.0021 0.0067 0.0146
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0067 0.0549
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0067 0.2439
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.0551
Plasmodium falciparum importin beta, putative 0.0028 0.0096 0.2045
Loa Loa (eye worm) carbonic anhydrase 3 0.0319 0.1215 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0231 0.0544
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.1379
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0.0011 0.0173
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0067 0.0549
Echinococcus granulosus dna polymerase eta 0.0021 0.0067 0.0549
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0067 0.0551
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0502 0.1924 0.2348
Echinococcus granulosus carbonic anhydrase 0.0118 0.0442 0.3641
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0011 0.0098
Echinococcus multilocularis carbonic anhydrase 0.0118 0.0442 0.3641
Trypanosoma brucei unspecified product 0.0021 0.0067 0.0496
Echinococcus granulosus snurportin 1 0.0304 0.1159 0.9538
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0151 0.1243
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0231 0.1903
Echinococcus granulosus importin 5 0.0005 0.0007 0.0056
Echinococcus multilocularis geminin 0.0167 0.0632 0.5199
Loa Loa (eye worm) hypothetical protein 0.0118 0.0442 0.3641
Echinococcus granulosus dna polymerase kappa 0.0021 0.0067 0.0549
Schistosoma mansoni importin beta-1 0.0028 0.0096 0.0216
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0496
Trichomonas vaginalis hypothetical protein 0.0005 0.0007 0.0005
Echinococcus multilocularis importin 5 0.0005 0.0007 0.0056
Schistosoma mansoni carbonic anhydrase 0.1076 0.4136 1
Toxoplasma gondii hypothetical protein 0.0118 0.0442 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0011 0.0098
Chlamydia trachomatis sulfate transporter 0.0069 0.0253 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.0442 0.3641
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0067 0.0551
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.0547 0.1309
Trichomonas vaginalis conserved hypothetical protein 0.2596 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0231 0.0544
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0069 0.0253 0.5656
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0067 0.0056
Schistosoma mansoni carbonic anhydrase 0.0118 0.0442 0.1055
Brugia malayi RNA binding protein 0.0064 0.0231 0.1903
Loa Loa (eye worm) importin-beta domain-containing protein 0.0005 0.0007 0.0056

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100000 nM Inhibition of human recombinant DPP4 pre-incubated with compound for 15 mins before substrate addition by luminescence assay ChEMBL. 25147615
IC50 (binding) > 100000 nM Inhibition of human recombinant DPP9 pre-incubated with compound for 15 mins before substrate addition by luminescence assay ChEMBL. 25147615
IC50 (binding) > 100000 nM Inhibition of human recombinant DPP8 pre-incubated with compound for 15 mins before substrate addition by luminescence assay ChEMBL. 25147615

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.