Detailed information for compound 1060791

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.511 | Formula: C26H27N3O3
  • H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CC[C@H](CC1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1)Nc1cccc2c1nccc2C
  • InChi: 1S/C26H27N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-6,11-12,15-18,21-22H,7-10,13H2,1H3,(H,28,30)/t15-,16-,17+,18-,21-,22+
  • InChiKey: YRGQAVAKRGMMAR-MJNMERRXSA-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 wingless-type MMTV integration site family, member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Wnt-2 protein precursor wingless-type MMTV integration site family, member 3 355 aa 358 aa 37.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0016 0.018 0.0223
Echinococcus multilocularis snurportin 1 0.032 0.7297 0.7297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0937 0.0937
Onchocerca volvulus 0.005 0.0958 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.2684 0.7398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0937 0.0937
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0313 0.1645
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.707 1
Treponema pallidum NADH oxidase 0.0017 0.019 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0498 0.0448
Plasmodium vivax glutathione reductase, putative 0.0049 0.0935 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.3239 0.4431
Schistosoma mansoni cpg binding protein 0.0032 0.0553 0.0553
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.2394 0.6599
Echinococcus multilocularis importin subunit beta 1 0.003 0.0498 0.0498
Brugia malayi RNA, U transporter 1 0.0085 0.1794 0.3249
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.019 0.5
Brugia malayi RNA binding protein 0.0131 0.2865 0.5205
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.2865 0.3912
Echinococcus multilocularis WNT 0.0016 0.018 0.018
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0819 0.0913
Brugia malayi Thioredoxin reductase 0.0049 0.0935 0.168
Brugia malayi wnt family protein 0.0016 0.018 0.0302
Loa Loa (eye worm) hypothetical protein 0.0243 0.5492 0.752
Echinococcus multilocularis GPCR, family 2 0.0033 0.056 0.056
Loa Loa (eye worm) Wnt2 protein 0.0016 0.018 0.0223
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.5492 0.5492
Schistosoma mansoni ran 0.0022 0.0313 0.0313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0937 0.0937
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.019 0.0525
Mycobacterium tuberculosis Probable reductase 0.0111 0.2394 0.6599
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.0545
Loa Loa (eye worm) hypothetical protein 0.0016 0.018 0.0223
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.019 0.019
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2212 0.3015
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0819 0.0913
Echinococcus multilocularis WNT 0.0016 0.018 0.018
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.1042 0.1238
Echinococcus multilocularis dnaJ subfamily B 0.0435 1 1
Schistosoma mansoni hypothetical protein 0.032 0.7297 0.7297
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.3239 0.4431
Loa Loa (eye worm) hypothetical protein 0.007 0.1447 0.1965
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1447 0.2616
Loa Loa (eye worm) hypothetical protein 0.0016 0.018 0.0223
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1153 1
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.019 0.5211
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0935 1
Schistosoma mansoni hypothetical protein 0.0033 0.056 0.056
Brugia malayi Latrophilin receptor protein 2 0.0033 0.056 0.0996
Echinococcus granulosus tar DNA binding protein 0.0131 0.2865 0.2865
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.2684 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0366 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.0178
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0937 0.1684
Toxoplasma gondii hypothetical protein 0.005 0.0969 0.8088
Loa Loa (eye worm) hypothetical protein 0.0016 0.018 0.0223
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0935 0.0935
Echinococcus multilocularis protein Wnt 1 0.0016 0.018 0.018
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0498 0.0448
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.019 0.0321
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0313 0.1272
Schistosoma mansoni hypothetical protein 0.0033 0.056 0.056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0937 0.0937
Schistosoma mansoni wnt-5 0.0016 0.018 0.018
Schistosoma mansoni importin beta-1 0.003 0.0498 0.0498
Schistosoma mansoni hypothetical protein 0.0033 0.056 0.056
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0086 0.013
Trichomonas vaginalis ran, putative 0.0022 0.0313 0.856
Schistosoma mansoni wnt related 0.0016 0.018 0.018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2212 0.4012
Echinococcus granulosus snurportin 1 0.032 0.7297 0.7297
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.056 0.056
Loa Loa (eye worm) TAR-binding protein 0.0131 0.2865 0.3912
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.019 0.5211
Leishmania major importin beta-1 subunit, putative 0.0024 0.0366 0.0254
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.019 0.019
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.2394 0.6599
Schistosoma mansoni hypothetical protein 0.0353 0.8069 0.8069
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 0.7297 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0819 0.0913
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.056 0.056
Leishmania major trypanothione reductase 0.0049 0.0935 0.1082
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.2394 0.892
Brugia malayi glutathione reductase 0.0049 0.0935 0.168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0937 0.0937
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.056 0.056
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0935 0.1082
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.2394 0.6599
Loa Loa (eye worm) wnt-4 protein 0.0016 0.018 0.0223
Trypanosoma brucei trypanothione reductase 0.0049 0.0935 0.1082
Echinococcus granulosus protein Wnt 2 0.0016 0.018 0.018
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.019 0.0525
Echinococcus multilocularis geminin 0.0353 0.8069 0.8069
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0016 0.018 0.0223
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0937 0.0937
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1316 0.1316
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.056 0.056
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.056 0.0996
Echinococcus multilocularis wingless type MMTV integration site family 0.0016 0.018 0.018
Echinococcus granulosus Protein Wnt-5 0.0016 0.018 0.018
Echinococcus granulosus Protein Wnt-11b 0.0016 0.018 0.018
Brugia malayi Wnt-4 protein precursor 0.0016 0.018 0.0302
Brugia malayi hypothetical protein 0.0243 0.5492 1
Brugia malayi Wnt-2 protein precursor 0.0016 0.018 0.0302
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.2394 0.6599
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2865 0.2865
Entamoeba histolytica hypothetical protein 0.0024 0.0366 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0498 0.0498
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.019 0.0525
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 1
Schistosoma mansoni hypothetical protein 0.005 0.0958 0.0958
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0366 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.0935 0.126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0937 0.0937
Schistosoma mansoni survival motor neuron protein 0.005 0.0958 0.0958
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0937 0.1263
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0366 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.2394 0.6599
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.707 1
Echinococcus granulosus Protein Wnt-04 0.0016 0.018 0.018
Echinococcus multilocularis tar DNA binding protein 0.0131 0.2865 0.2865
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.2865 0.5205
Schistosoma mansoni hypothetical protein 0.0353 0.8069 0.8069
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.5492 0.5492
Echinococcus multilocularis cpg binding protein 0.0032 0.0553 0.0553
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2865 0.2865
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0017 0.0017
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.019 0.0525
Brugia malayi wnt family protein 0.0016 0.018 0.0302
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0086 0.013
Brugia malayi wnt family protein 0.0016 0.018 0.0302
Loa Loa (eye worm) hypothetical protein 0.0033 0.056 0.0746
Schistosoma mansoni cpg binding protein 0.0031 0.0512 0.0512
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.056 0.0746
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0313 0.0313
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0017 0.0017
Echinococcus granulosus geminin 0.0353 0.8069 0.8069
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0935 0.126
Plasmodium falciparum thioredoxin reductase 0.0049 0.0935 1
Schistosoma mansoni hypothetical protein 0.007 0.1447 0.1447
Loa Loa (eye worm) hypothetical protein 0.0103 0.2212 0.3015
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.019 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.707 1
Echinococcus granulosus Protein Wnt-111 0.0016 0.018 0.018
Plasmodium falciparum glutathione reductase 0.0049 0.0935 1
Schistosoma mansoni hypothetical protein 0.0033 0.056 0.056
Echinococcus multilocularis wnt family member wnt11 2 0.0016 0.018 0.018
Leishmania major mitochondrial DNA polymerase beta 0.031 0.707 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2865 0.2865
Echinococcus multilocularis protein Wnt 2 0.0016 0.018 0.018
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.3239 0.4431
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2865 0.2865
Mycobacterium ulcerans hypothetical protein 0.0163 0.3628 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.2684 0.7398
Plasmodium falciparum importin beta, putative 0.003 0.0498 0.4138
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0366 0.0254
Schistosoma mansoni hypothetical protein 0.0435 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.1645
Brugia malayi CXXC zinc finger family protein 0.0031 0.0512 0.0909
Brugia malayi wnt family protein 0.0016 0.018 0.0302
Echinococcus granulosus cpg binding protein 0.0032 0.0553 0.0553
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2212 0.4012
Loa Loa (eye worm) hypothetical protein 0.003 0.0498 0.0661
Leishmania major GTP-binding protein, putative 0.0022 0.0313 0.0178
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.3628 1
Schistosoma mansoni cpg binding protein 0.0032 0.0553 0.0553
Brugia malayi Importin beta-1 subunit 0.003 0.0498 0.0883
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.2684 0.7398
Schistosoma mansoni wnt related 0.0016 0.018 0.018
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.0178
Loa Loa (eye worm) RNA binding protein 0.0131 0.2865 0.3912
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.019 0.019
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0935 0.0935
Toxoplasma gondii thioredoxin reductase 0.0049 0.0935 0.7731
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0958 0.1722
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0313 0.0406
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0313 0.0178
Schistosoma mansoni ran 0.0022 0.0313 0.0313
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.019 1
Schistosoma mansoni wnt related 0.0016 0.018 0.018
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0498 0.3199
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0512 0.068
Schistosoma mansoni wnt related 0.0016 0.018 0.018
Schistosoma mansoni tar DNA-binding protein 0.0131 0.2865 0.2865
Plasmodium vivax importin-beta 2, putative 0.003 0.0498 0.4138
Loa Loa (eye worm) CWN-2 protein 0.0016 0.018 0.0223
Echinococcus granulosus GPCR family 2 0.0033 0.056 0.056
Brugia malayi TAR-binding protein 0.0131 0.2865 0.5205
Echinococcus granulosus protein Wnt 1 0.0016 0.018 0.018
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0819 0.0913
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0935 0.2577

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 1 uM Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay ChEMBL. 19410457

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.

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