Detailed information for compound 1711714

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 630.777 | Formula: C35H46N6O5
  • H donors: 4 H acceptors: 5 LogP: 2.69 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](N1C[C@H](C)[C@@H](CN(Cc2ccncc2)C)Oc2c(C1=O)cccc2NC(=O)CCCCCC(=O)Nc1ccccc1N)C
  • InChi: 1S/C35H46N6O5/c1-24-20-41(25(2)23-42)35(45)27-10-9-13-30(34(27)46-31(24)22-40(3)21-26-16-18-37-19-17-26)39-33(44)15-6-4-5-14-32(43)38-29-12-8-7-11-28(29)36/h7-13,16-19,24-25,31,42H,4-6,14-15,20-23,36H2,1-3H3,(H,38,43)(H,39,44)/t24-,25+,31+/m0/s1
  • InChiKey: YTGCLJURRTWXGQ-NVDQFQLTSA-N  

Network

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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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.1789 0.4321
Entamoeba histolytica protein kinase rad3, putative 0.0009 0.0005 0.0011
Echinococcus granulosus tar DNA binding protein 0.0057 0.2548 0.6154
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0017 0.0401 0.0827
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0401 0.0957
Schistosoma mansoni hypothetical protein 0.0033 0.1299 0.1299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0023 0.074 0.074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1789 0.1789
Plasmodium falciparum ataxin-2 like protein, putative 0.0066 0.3037 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1078 0.2378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0009 0.0005 0.001
Onchocerca volvulus Peroxidase homolog 0.0083 0.3957 0.9558
Loa Loa (eye worm) hypothetical protein 0.0043 0.1811 0.3997
Echinococcus multilocularis tar DNA binding protein 0.0057 0.2548 0.6154
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.074 0.1787
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.3957 0.8732
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0401 0.0884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Onchocerca volvulus Chorion peroxidase homolog 0.0083 0.3957 0.9558
Schistosoma mansoni hypothetical protein 0.0014 0.0226 0.0226
Schistosoma mansoni tar DNA-binding protein 0.0057 0.2548 0.2548
Brugia malayi hypothetical protein 0.0042 0.1781 0.393
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0066 0.3037 0.6702
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.3957 0.8732
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.1789 0.4321
Brugia malayi hypothetical protein 0.0066 0.3037 0.6702
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Schistosoma mansoni tar DNA-binding protein 0.0057 0.2548 0.2548
Schistosoma mansoni tar DNA-binding protein 0.0057 0.2548 0.2548
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.1789 0.3947
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0043 0.1811 0.3997
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.414 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0009 0.0005 0.0011
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0063 0.0153
Brugia malayi Animal haem peroxidase family protein 0.0083 0.3957 0.8732
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0017 0.0401 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus multilocularis serine protein kinase ATM 0.0023 0.074 0.1787
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.1789 0.3947
Echinococcus multilocularis GPCR, family 2 0.0014 0.0226 0.0547
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0017 0.0401 0.0957
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Onchocerca volvulus 0.0083 0.3957 0.9558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Schistosoma mansoni fkbp-rapamycin associated protein 0.0009 0.0005 0.0005
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0029 0.1082 0.2615
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0401 0.0827
Toxoplasma gondii target of rapamycin (TOR), putative 0.0017 0.0401 0.1319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Brugia malayi Latrophilin receptor protein 2 0.0014 0.0226 0.05
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.1299 0.3137
Schistosoma mansoni tar DNA-binding protein 0.0057 0.2548 0.2548
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0023 0.074 0.1632
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.414 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Brugia malayi RNA binding protein 0.0057 0.2548 0.5622
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0401 0.0401
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0009 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0066 0.3037 1
Echinococcus multilocularis peroxidasin 0.0083 0.3957 0.9558
Onchocerca volvulus 0.0083 0.3957 0.9558
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.414 0.414
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.414 0.9135
Onchocerca volvulus Dual oxidase homolog 0.0083 0.3957 0.9558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.014
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Trichomonas vaginalis CAMK family protein kinase 0.0043 0.1793 0.4332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0093 0.4532 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0401 0.0884
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.414 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1789 0.1789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0011 0.0063 0.0208
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0401 0.0884
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0401 0.0968
Trypanosoma brucei PAB1-binding protein , putative 0.0066 0.3037 0.7295
Trypanosoma cruzi target of rapamycin kinase 3 0.0017 0.0401 0.0957
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Brugia malayi RNA recognition motif domain containing protein 0.0057 0.2548 0.5622
Brugia malayi Calcitonin receptor-like protein seb-1 0.0043 0.1811 0.3997
Trypanosoma brucei polo-like protein kinase 0.0086 0.414 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0009 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus granulosus GPCR family 2 0.0014 0.0226 0.0547
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.414 1
Onchocerca volvulus Peroxidasin homolog 0.0083 0.3957 0.9558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Leishmania major phosphatidylinositol kinase related protein, putative 0.0017 0.0402 0.0972
Onchocerca volvulus Peroxidase homolog 0.0083 0.3957 0.9558
Brugia malayi hypothetical protein 0.0033 0.1299 0.2866
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0023 0.074 0.1659
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0029 0.1082 0.2615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0017 0.0401 0.0968
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.074 0.1777
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Entamoeba histolytica hypothetical protein 0.0033 0.1299 0.3137
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.414 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0014 0.0226 0.05
Schistosoma mansoni hypothetical protein 0.0029 0.1078 0.1078
Entamoeba histolytica hypothetical protein 0.0023 0.074 0.1787
Loa Loa (eye worm) transcription factor SMAD2 0.0093 0.4532 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.1789 0.4321
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.1789 0.4321
Trypanosoma cruzi PAB1-binding protein , putative 0.0066 0.3037 0.7333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus granulosus peroxidasin 0.0083 0.3957 0.9558
Schistosoma mansoni hypothetical protein 0.0029 0.1082 0.1082
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0017 0.0401 0.0957
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.1078 0.2378
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Schistosoma mansoni hypothetical protein 0.0014 0.0226 0.0226
Entamoeba histolytica hypothetical protein 0.0033 0.1299 0.3137
Trypanosoma cruzi PAB1-binding protein , putative 0.0066 0.3037 0.7333
Loa Loa (eye worm) blistered cuticle protein 3 0.0083 0.3957 0.8732
Plasmodium falciparum ataxin-2 like protein, putative 0.0066 0.3037 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0009 0.0005 0.001
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0017 0.0401 0.0827
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0401 0.0957
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0017 0.0401 0.0827
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0009 0.0005 0.0011
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0057 0.2548 0.5622
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0063 0.0153
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0009 0.0005 0.0011
Entamoeba histolytica hypothetical protein 0.0033 0.1299 0.3137
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Schistosoma mansoni peroxidasin 0.0083 0.3957 0.3957
Echinococcus granulosus serine protein kinase ATM 0.0023 0.074 0.1787
Loa Loa (eye worm) hypothetical protein 0.0014 0.0226 0.05
Brugia malayi Blistered cuticle protein 3 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Onchocerca volvulus 0.0083 0.3957 0.9558
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.414 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.0565 0.1355
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0017 0.0402 0.0961
Toxoplasma gondii FATC domain-containing protein 0.0023 0.074 0.2435
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0401 0.0827
Brugia malayi Animal haem peroxidase family protein 0.0083 0.3957 0.8732
Loa Loa (eye worm) RNA binding protein 0.0057 0.2548 0.5622
Schistosoma mansoni tar DNA-binding protein 0.0057 0.2548 0.2548
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Loa Loa (eye worm) hypothetical protein 0.002 0.0565 0.1247
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.414 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Brugia malayi Animal haem peroxidase family protein 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0017 0.0401 0.0968
Brugia malayi MH2 domain containing protein 0.0093 0.4532 1
Plasmodium vivax ataxin-2 like protein, putative 0.0066 0.3037 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0017 0.0401 0.0968
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0017 0.0401 0.0401
Leishmania major hypothetical protein, conserved 0.0066 0.3037 0.7336
Brugia malayi hypothetical protein 0.0083 0.3957 0.8732
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.1299 0.3137
Trichomonas vaginalis CAMK family protein kinase 0.0043 0.1793 0.4332
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.414 1
Brugia malayi Peroxidasin 0.0083 0.3957 0.8732
Brugia malayi TAR-binding protein 0.0057 0.2548 0.5622
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0014 0.0226 0.0547
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Entamoeba histolytica hypothetical protein 0.0033 0.1299 0.3137
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0014 0.0226 0.0547
Brugia malayi Animal haem peroxidase family protein 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0401 0.0968
Loa Loa (eye worm) hypothetical protein 0.0083 0.3957 0.8732
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0014 0.0226 0.05
Brugia malayi Animal haem peroxidase family protein 0.0083 0.3957 0.8732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0009 0.0005 0.0011
Onchocerca volvulus Peroxidasin homolog 0.0083 0.3957 0.9558
Leishmania major phosphatidylinositol 3-kinase, putative 0.0017 0.0401 0.0968
Schistosoma mansoni hypothetical protein 0.0014 0.0226 0.0226
Loa Loa (eye worm) TAR-binding protein 0.0057 0.2548 0.5622
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.414 0.9135
Schistosoma mansoni kinase 0.0044 0.1855 0.1855
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0014 0.0226 0.0547
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0017 0.0401 0.0884
Giardia lamblia Kinase, PLK 0.0086 0.414 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0017 0.0401 0.0968
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.1299 0.1299
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.1789 0.1789
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0043 0.1811 0.3997
Schistosoma mansoni peroxidasin 0.0083 0.3957 0.3957
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0014 0.0226 0.0547
Schistosoma mansoni hypothetical protein 0.0014 0.0226 0.0226
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0017 0.0401 0.0968
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0017 0.0401 0.0968

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 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) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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