Detailed information for compound 1534913

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.977 | Formula: C25H29ClN4O
  • H donors: 1 H acceptors: 2 LogP: 5.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccccc1)CCN1CCC(CC1)n1nccc1NC(=O)c1ccccc1Cl
  • InChi: 1S/C25H29ClN4O/c1-19(20-7-3-2-4-8-20)12-16-29-17-13-21(14-18-29)30-24(11-15-27-30)28-25(31)22-9-5-6-10-23(22)26/h2-11,15,19,21H,12-14,16-18H2,1H3,(H,28,31)
  • InChiKey: TXFJKTZILYPGMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0627 0.1651
Leishmania major hexokinase, putative 0.0176 0.4545 1
Onchocerca volvulus 0.0047 0.0961 0.2063
Entamoeba histolytica hypothetical protein 0.0028 0.0428 0.0511
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0573 0.1502
Leishmania major hexokinase, putative 0.0176 0.4545 1
Entamoeba histolytica hexokinase 1 0.0176 0.4545 0.5771
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0428 0.0511
Loa Loa (eye worm) hexokinase 0.0054 0.1159 0.1159
Onchocerca volvulus 0.0176 0.4545 1
Trypanosoma cruzi hexokinase, putative 0.0176 0.4545 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2929 0.2929
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0961 0.2571
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1319 0.1319
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0961 0.2063
Brugia malayi Importin beta-1 subunit 0.0035 0.0612 0.1291
Schistosoma mansoni intermediate filament proteins 0.0027 0.0384 0.0356
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0041 0.0788 0.0788
Loa Loa (eye worm) hypothetical protein 0.0035 0.0627 0.0627
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0961 0.2063
Loa Loa (eye worm) hexokinase 0.0176 0.4545 0.4545
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0029
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0961 0.1191
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0029 0.0029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0573 0.1502
Echinococcus multilocularis hexokinase 0.0176 0.4545 0.4545
Loa Loa (eye worm) hypothetical protein 0.012 0.2986 0.2986
Plasmodium vivax importin-beta 2, putative 0.0035 0.0612 0.1291
Plasmodium falciparum hexokinase 0.0176 0.4545 1
Onchocerca volvulus Hexokinase homolog 0.011 0.2718 0.5954
Onchocerca volvulus 0.0027 0.0384 0.0787
Leishmania major importin beta-1 subunit, putative 0.0028 0.0428 0.0885
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2929 0.2929
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0961 0.2571
Trypanosoma brucei hexokinase 0.0176 0.4545 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0612 0.0612
Loa Loa (eye worm) hexokinase type II 0.0176 0.4545 0.4545
Loa Loa (eye worm) hypothetical protein 0.0056 0.1201 0.1201
Loa Loa (eye worm) hypothetical protein 0.0047 0.0961 0.0961
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0961 0.2571
Schistosoma mansoni lamin 0.0027 0.0384 0.0356
Schistosoma mansoni hypothetical protein 0.0372 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0961 0.2571
Loa Loa (eye worm) hexokinase 0.0176 0.4545 0.4545
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0428 0.0885
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0384 0.0384
Onchocerca volvulus 0.0176 0.4545 1
Schistosoma mansoni hypothetical protein 0.0167 0.4307 0.429
Entamoeba histolytica hexokinase 2 0.0176 0.4545 0.5771
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0172 0.0172
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0788 0.1682
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0627 0.1325
Loa Loa (eye worm) hypothetical protein 0.0035 0.0627 0.0627
Toxoplasma gondii hexokinase 0.0176 0.4545 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0019 0.0172 0.0144
Echinococcus multilocularis snurportin 1 0.0372 1 1
Schistosoma mansoni lamin 0.0027 0.0384 0.0356
Echinococcus granulosus intermediate filament protein 0.0027 0.0384 0.0384
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0172 0.0318
Loa Loa (eye worm) hypothetical protein 0.0047 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0026 0.0371 0.0371
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0172 0.0318
Echinococcus multilocularis hexokinase type 2 0.0176 0.4545 0.4545
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0573 0.1502
Loa Loa (eye worm) hypothetical protein 0.0047 0.0961 0.0961
Echinococcus granulosus geminin 0.0167 0.4307 0.4307
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1319 0.2857
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0428 0.0511
Plasmodium vivax hexokinase, putative 0.0176 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.0172
Loa Loa (eye worm) oxidoreductase 0.0014 0.0029 0.0029
Trypanosoma brucei hexokinase, putative 0.0176 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0961 0.2571
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0612 0.1291
Brugia malayi Hexokinase family protein 0.011 0.2718 0.5954
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0961 0.2571
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0039 0.0023
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0961 0.1191
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.7853 1
Echinococcus granulosus hexokinase 0.0176 0.4545 0.4545
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0961 0.2571
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0172 0.0172
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3653 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0029 0.0029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0573 0.1502
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0612 0.1291
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0384 0.0384
Echinococcus multilocularis musashi 0.0027 0.0384 0.0384
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Schistosoma mansoni importin beta-1 0.0035 0.0612 0.0585
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0961 0.2063
Onchocerca volvulus 0.0027 0.0384 0.0787
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0961 0.2063
Brugia malayi Hexokinase family protein 0.0054 0.1159 0.2502
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0612 0.1291
Echinococcus multilocularis hexokinase 0.0176 0.4545 0.4545
Schistosoma mansoni hypothetical protein 0.0019 0.0172 0.0144
Echinococcus granulosus hexokinase 0.0176 0.4545 0.4545
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1319 0.2857
Brugia malayi intermediate filament protein 0.0027 0.0384 0.0787
Schistosoma mansoni hypothetical protein 0.0019 0.0172 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0961 0.2571
Schistosoma mansoni hexokinase 0.0176 0.4545 0.4529
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0627 0.1325
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0428 0.0511
Echinococcus multilocularis hexokinase 0.0176 0.4545 0.4545
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0627 0.1651
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3653 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0172 0.0172
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0961 0.2571
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0961 0.1191
Mycobacterium ulcerans hypothetical protein 0.0047 0.0961 0.2571
Brugia malayi RNA, U transporter 1 0.0099 0.2401 0.5253
Echinococcus multilocularis geminin 0.0167 0.4307 0.4307
Loa Loa (eye worm) hypothetical protein 0.0035 0.0627 0.0627
Brugia malayi hexokinase type II 0.0056 0.1201 0.2595
Trypanosoma cruzi hexokinase, putative 0.0176 0.4545 1
Onchocerca volvulus 0.0176 0.4545 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.7853 1
Echinococcus granulosus lamin dm0 0.0027 0.0384 0.0384
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0172 0.0172
Loa Loa (eye worm) hexokinase 0.011 0.2718 0.2718
Echinococcus multilocularis lamin dm0 0.0027 0.0384 0.0384
Schistosoma mansoni hypothetical protein 0.0019 0.0172 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0027 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.006 0.1319 0.1319
Trypanosoma brucei hexokinase 0.0176 0.4545 1
Echinococcus granulosus hexokinase type 2 0.0176 0.4545 0.4545
Echinococcus multilocularis GPCR, family 2 0.0019 0.0172 0.0172
Onchocerca volvulus 0.011 0.2718 0.5954
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0627 0.0627
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7853 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0384 0.0787
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.7853 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0612 0.0612
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0039 0.0039
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0961 0.2063
Schistosoma mansoni hypothetical protein 0.0167 0.4307 0.429
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0961 0.2063
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0029 0.0029
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3653 1
Echinococcus granulosus lamin 0.0027 0.0384 0.0384
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0961 0.2571
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0627 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.1201 0.1201
Plasmodium falciparum importin beta, putative 0.0035 0.0612 0.1291
Brugia malayi Hexokinase family protein 0.0176 0.4545 1
Brugia malayi hexokinase 0.0176 0.4545 1
Echinococcus multilocularis lamin 0.0027 0.0384 0.0384
Brugia malayi MH2 domain containing protein 0.0118 0.2929 0.6421
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.7853 0.5
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0612 0.0612
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0961 0.2571
Echinococcus granulosus GPCR family 2 0.0019 0.0172 0.0172
Echinococcus granulosus hexokinase 0.0176 0.4545 0.4545
Schistosoma mansoni hypothetical protein 0.0041 0.0788 0.0762

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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