Detailed information for compound 1234409

Basic information

Technical information
  • TDR Targets ID: 1234409
  • Name: T5581737
  • MW: 438.495 | Formula: C24H27FN4O3
  • H donors: 2 H acceptors: 3 LogP: 2.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)NC1CC1)CN1CCN(CC1)c1ccc(cc1F)C(=O)C
  • InChi: 1S/C24H27FN4O3/c1-16(30)17-6-9-22(20(25)14-17)29-12-10-28(11-13-29)15-23(31)27-21-5-3-2-4-19(21)24(32)26-18-7-8-18/h2-6,9,14,18H,7-8,10-13,15H2,1H3,(H,26,32)(H,27,31)
  • InChiKey: GCOZTVQQKPUUQI-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 snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis importin-beta2 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative 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
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative 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
Schistosoma mansoni importin beta-1 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
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative 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
Echinococcus multilocularis snurportin 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
Trichomonas vaginalis importin beta-1, 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana 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
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0026 0.0137 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0252 1
Onchocerca volvulus 0.0215 0.2095 1
Loa Loa (eye worm) hypothetical protein 0.033 0.3287 0.8844
Schistosoma mansoni ran 0.0026 0.0138 0.0371
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0039 0.0039
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0138 0.0371
Brugia malayi hypothetical protein 0.0215 0.2095 0.6372
Schistosoma mansoni hypothetical protein 0.0372 0.3717 1
Echinococcus multilocularis jun protein 0.0274 0.2702 0.2702
Entamoeba histolytica hypothetical protein 0.0037 0.0252 1
Echinococcus multilocularis geminin 0.0205 0.1989 0.1989
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0039 0.0105
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0026 0.0137 0.0137
Schistosoma mansoni tar DNA-binding protein 0.0065 0.054 0.1453
Echinococcus granulosus snurportin 1 0.0372 0.3717 1
Schistosoma mansoni importin beta-1 0.0035 0.0233 0.0627
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0233 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0398 0.1211
Schistosoma mansoni hypothetical protein 0.0016 0.0039 0.0105
Brugia malayi Cytochrome P450 family protein 0.0046 0.0349 0.1063
Schistosoma mansoni tar DNA-binding protein 0.0065 0.054 0.1453
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0274 0.2702 0.7269
Loa Loa (eye worm) RNA binding protein 0.0065 0.054 0.1453
Leishmania major GTP-binding protein, putative 0.0026 0.0138 0.0192
Schistosoma mansoni ran 0.0026 0.0138 0.0371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.093 0.093
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0039 0.0119
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0252 0.0252
Echinococcus granulosus jun protein 0.0274 0.2702 0.7269
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.093 0.2501
Echinococcus granulosus single minded 2 0.0073 0.0626 0.1685
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0138 0.042
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0026 0.0137 0.037
Entamoeba histolytica hypothetical protein 0.0037 0.0252 1
Mycobacterium ulcerans putative regulatory protein 0.0073 0.0626 0.5
Trichomonas vaginalis ran, putative 0.0026 0.0138 0.0192
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0232 0.0705
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0349 0.094
Brugia malayi hypoxia-induced factor 1 0.0305 0.3023 0.9195
Echinococcus multilocularis snurportin 1 0.0372 0.3717 0.3717
Schistosoma mansoni jun-related protein 0.0222 0.2172 0.5843
Schistosoma mansoni tar DNA-binding protein 0.0065 0.054 0.1453
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0398 0.1071
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0252 0.0678
Plasmodium vivax importin-beta 2, putative 0.0035 0.0233 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.093 0.2828
Schistosoma mansoni hypothetical protein 0.0016 0.0039 0.0105
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0233 0.0233
Brugia malayi Importin beta-1 subunit 0.0035 0.0233 0.0709
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0274 0.2702 0.2702
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0252 0.0678
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.093 0.2501
Loa Loa (eye worm) hypoxia-induced factor 1 0.0305 0.3023 0.8132
Loa Loa (eye worm) hypothetical protein 0.0016 0.0039 0.0105
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0233 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0398 0.1211
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.054 0.1643
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0039 0.0119
Echinococcus multilocularis tar DNA binding protein 0.0065 0.054 0.054
Brugia malayi bZIP transcription factor family protein 0.0274 0.2702 0.822
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.093 0.2501
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0165 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0039 0.0105
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0026 0.0137 0.037
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0165 1
Echinococcus granulosus geminin 0.0205 0.1989 0.5351
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3717 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0035 0.0233 0.0627
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0138 0.0192
Onchocerca volvulus 0.0073 0.0626 0.299
Schistosoma mansoni hypothetical protein 0.0205 0.1989 0.5351
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0039 0.0105
Entamoeba histolytica hypothetical protein 0.0037 0.0252 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0138 0.0192
Brugia malayi PAS domain containing protein 0.0098 0.0891 0.2709
Echinococcus granulosus GPCR family 2 0.0016 0.0039 0.0105
Schistosoma mansoni hypothetical protein 0.0016 0.0039 0.0105
Loa Loa (eye worm) hypothetical protein 0.0026 0.0137 0.037
Loa Loa (eye worm) TAR-binding protein 0.0065 0.054 0.1453
Brugia malayi hypothetical protein 0.033 0.3287 1
Schistosoma mansoni hypothetical protein 0.0222 0.2172 0.5843
Plasmodium falciparum importin beta, putative 0.0035 0.0233 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0026 0.0137 0.037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.093 0.2501
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0165 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0398 0.1071
Schistosoma mansoni hypothetical protein 0.0205 0.1989 0.5351
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.093 0.2501
Brugia malayi RNA binding protein 0.0065 0.054 0.1643
Schistosoma mansoni aryl hydrocarbon receptor 0.0098 0.0891 0.2396
Echinococcus multilocularis transfer RNA-Lys 0.0073 0.0626 0.0626
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0165 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0232 0.0624
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.093 0.093
Brugia malayi TAR-binding protein 0.0065 0.054 0.1643
Schistosoma mansoni single-minded 0.0098 0.0891 0.2396
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0233 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.054 0.1453
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0137 0.0656
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.093 0.2501
Loa Loa (eye worm) hypothetical protein 0.0266 0.2625 0.7061
Entamoeba histolytica hypothetical protein 0.0028 0.0165 0.2368
Echinococcus multilocularis aryl hydrocarbon receptor 0.0026 0.0137 0.0137
Mycobacterium leprae Possible regulatory protein 0.0026 0.0137 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0138 0.0371
Leishmania major importin beta-1 subunit, putative 0.0028 0.0165 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.054 0.1453
Schistosoma mansoni hypothetical protein 0.0035 0.0232 0.0624
Schistosoma mansoni hypothetical protein 0.0037 0.0252 0.0678
Schistosoma mansoni tar DNA-binding protein 0.0065 0.054 0.1453
Brugia malayi RNA, U transporter 1 0.0099 0.0897 0.2729
Schistosoma mansoni hypothetical protein 0.0016 0.0039 0.0105
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0039 0.0039
Brugia malayi bHLH-PAS transcription factor 0.0073 0.0626 0.1905
Brugia malayi hypothetical protein 0.0037 0.0252 0.0766
Echinococcus granulosus importin subunit beta 1 0.0035 0.0233 0.0627
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.054 0.1453

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0058 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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