Detailed information for compound 1543407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 487.504 | Formula: C27H25N3O6
  • H donors: 1 H acceptors: 4 LogP: 2.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)N(CC(=O)Nc1cccc(c1)OC)C)CN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C27H25N3O6/c1-29(16-24(31)28-18-7-6-8-19(14-18)35-2)25(32)22-13-17(11-12-23(22)36-3)15-30-26(33)20-9-4-5-10-21(20)27(30)34/h4-14H,15-16H2,1-3H3,(H,28,31)
  • InChiKey: QXNKWVWTJZMNIL-UHFFFAOYSA-N  

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 karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative 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
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, 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
Theileria parva GTP-binding nuclear protein ran, putative 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
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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni importin beta-1 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
Candida albicans karyopherin-beta 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 cruzi 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 hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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 hominis GTP-binding nuclear protein ran/tc4 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
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
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
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran 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
Brugia malayi Importin beta-1 subunit 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
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran 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
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative 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
Entamoeba histolytica hypothetical protein 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
Cryptosporidium hominis importin-beta2 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
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense importin beta-1 subunit, 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
Theileria parva importin beta, 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
Echinococcus granulosus importin subunit beta 1 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Toxoplasma gondii aminopeptidase n, putative 0.0117 0.258 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0332 0.8855 0.8832
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0332 0.8855 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.258 0.2914
Brugia malayi hypothetical protein 0.0332 0.8855 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0332 0.8855 1
Onchocerca volvulus 0.0332 0.8855 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0332 0.8855 0.8832
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0117 0.258 0.2914
Schistosoma mansoni aminopeptidase A (M01 family) 0.0117 0.258 0.2435
Brugia malayi Peptidase family M1 containing protein 0.0332 0.8855 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0786 0.0606
Loa Loa (eye worm) hypothetical protein 0.0117 0.258 0.2435
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0117 0.258 0.2914
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0117 0.258 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.258 0.2435
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0117 0.258 1
Loa Loa (eye worm) aminopeptidase N 0.0332 0.8855 0.8832
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Echinococcus multilocularis aminopeptidase N 0.0332 0.8855 0.8832
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0786 0.0606
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Loa Loa (eye worm) hypothetical protein 0.0216 0.5453 0.5364
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Schistosoma mansoni hypothetical protein 0.0205 0.5135 0.504
Echinococcus granulosus aminopeptidase N 0.0332 0.8855 0.8832
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0606
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0117 0.258 0.2914
Loa Loa (eye worm) TATA binding protein associated factor 0.0117 0.258 0.2435
Brugia malayi TATA binding protein associated factor 0.0117 0.258 0.2757
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0786 0.0606
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0786 0.0686
Onchocerca volvulus 0.0332 0.8855 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0117 0.258 0.2435
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0332 0.8855 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0786 0.0606
Loa Loa (eye worm) hypothetical protein 0.0216 0.5453 0.5364
Entamoeba histolytica aminopeptidase, putative 0.0332 0.8855 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0332 0.8855 0.8832
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0216 0.5453 0.5364
Brugia malayi hypothetical protein 0.0117 0.258 0.2757
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.258 0.2435
Toxoplasma gondii aminopeptidase N, putative 0.0117 0.258 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0117 0.258 0.2435
Trypanosoma brucei aminopeptidase, putative 0.0117 0.258 0.2757
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0117 0.258 0.2435
Brugia malayi Peptidase family M1 containing protein 0.0332 0.8855 1
Schistosoma mansoni hypothetical protein 0.0372 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0606
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0117 0.258 0.2435
Schistosoma mansoni hypothetical protein 0.0205 0.5135 0.504
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0117 0.258 0.2914
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0117 0.258 0.2435
Echinococcus granulosus geminin 0.0205 0.5135 0.504
Trypanosoma brucei Aminopeptidase M1, putative 0.0332 0.8855 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0117 0.258 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0332 0.8855 1
Echinococcus multilocularis geminin 0.0205 0.5135 0.504
Trypanosoma cruzi aminopeptidase, putative 0.0332 0.8855 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0332 0.8855 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0332 0.8855 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0117 0.258 0.2435
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0117 0.258 0.2914
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0117 0.258 0.2914
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0117 0.258 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0332 0.8855 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0216 0.5453 0.5364
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0117 0.258 0.2914
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0332 0.8855 0.8832
Brugia malayi Peptidase family M1 containing protein 0.0117 0.258 0.2757
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0606
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0117 0.258 0.2435
Loa Loa (eye worm) hypothetical protein 0.0216 0.5453 0.5364
Brugia malayi RNA, U transporter 1 0.0099 0.2061 0.2157
Trypanosoma cruzi Aminopeptidase M1, putative 0.0332 0.8855 1
Echinococcus multilocularis snurportin 1 0.0372 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0786 0.0606
Loa Loa (eye worm) hypothetical protein 0.0117 0.258 0.2435
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0332 0.8855 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0216 0.5453 0.6158
Toxoplasma gondii aminopeptidase N protein 0.0117 0.258 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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
Potency (functional) 18.3564 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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