Detailed information for compound 1072422

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.569 | Formula: C24H39NO7
  • H donors: 1 H acceptors: 2 LogP: 3.73 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1[C@@H](CC[C@@]2([C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)N[C@@H](C(=O)OC)CC(C)C
  • InChi: 1S/C24H39NO7/c1-14(2)8-9-18-23(5,32-18)20-19(28-6)17(10-11-24(20)13-30-24)31-22(27)25-16(12-15(3)4)21(26)29-7/h8,15-20H,9-13H2,1-7H3,(H,25,27)/t16-,17-,18-,19-,20+,23+,24+/m1/s1
  • InChiKey: VQEZAFGBHLSOAM-FRTLKMCASA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0033 0.0148 0.0365
Leishmania major mitochondrial DNA polymerase beta 0.031 0.3703 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.2169 0.2169
Plasmodium falciparum phd finger protein, putative 0.0029 0.0089 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0253 0.0684
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0253 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0227 0.8712
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0253 1
Loa Loa (eye worm) RNA binding protein 0.0337 0.4046 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0087 0.0129
Giardia lamblia DINP protein human, muc B family 0.0042 0.0253 1
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0046 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4046 0.4046
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0046 0.0016
Loa Loa (eye worm) TAR-binding protein 0.0337 0.4046 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.3703 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0227 0.056
Echinococcus granulosus geminin 0.0536 0.6603 0.6603
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.2169 0.2169
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.004 0.0108
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.2169 0.2169
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0227 0.8712
Loa Loa (eye worm) hypothetical protein 0.0087 0.0837 0.2068
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0167 0.0167
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0278 0.0752
Loa Loa (eye worm) hypothetical protein 0.0087 0.0837 0.2068
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1604 0.427
Brugia malayi hypothetical protein 0.0087 0.0837 0.2067
Echinococcus multilocularis tar DNA binding protein 0.0337 0.4046 0.4046
Echinococcus granulosus jumonji domain containing protein 0.004 0.0234 0.0234
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0227 0.0226
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0253 0.0582
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0227 0.5816
Echinococcus granulosus tar DNA binding protein 0.0337 0.4046 0.4046
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0484 0.1196
Schistosoma mansoni hypothetical protein 0.0033 0.0148 0.0147
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0253 0.0582
Echinococcus multilocularis dna polymerase eta 0.0042 0.0253 0.0253
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.201 0.2009
Toxoplasma gondii hypothetical protein 0.005 0.0361 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0253 0.0684
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4046 0.4046
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0089 0.1526
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0234 0.0234
Schistosoma mansoni hypothetical protein 0.0536 0.6603 0.6603
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0089 0.0089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.2169 0.2169
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0046 0.0184
Schistosoma mansoni alpha-glucosidase 0.0154 0.169 0.169
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0089 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0683 0.0683
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0148 0.0365
Brugia malayi hypothetical protein 0.0025 0.004 0.0098
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0253 0.0253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0253 0.0684
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0933 0.0932
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4046 0.4046
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0253 0.0684
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0401 0.1083
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0253 0.0253
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0191 0.2169 0.5361
Echinococcus multilocularis geminin 0.0536 0.6603 0.6603
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.1817 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0087 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.0087 0.0129
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.201 0.4967
Brugia malayi RNA recognition motif domain containing protein 0.0337 0.4046 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0278 0.0752
Schistosoma mansoni alpha glucosidase 0.004 0.0227 0.0226
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Brugia malayi jmjC domain containing protein 0.0035 0.0167 0.0412
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0933 0.0932
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0046 0.0124
Onchocerca volvulus 0.0103 0.1043 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0278 0.0752
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0046 0.0113
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0089 0.0089
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0253 0.0626
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0253 0.0253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0253 0.0684
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0227 0.8712
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0253 0.0582
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0227 0.8712
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.2169 0.2169
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0046 0.0046
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.3703 1
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4046 0.4046
Loa Loa (eye worm) hypothetical protein 0.0025 0.004 0.0099
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0227 0.056
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0347 0.0856
Brugia malayi Bromodomain containing protein 0.0029 0.0089 0.0219
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0347 0.0856
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0227 0.0509
Echinococcus granulosus peregrin 0.0029 0.0089 0.0089
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.201 0.4966
Leishmania major DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Echinococcus multilocularis peregrin 0.0029 0.0089 0.0089
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.3703 1
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.0253 0.0582
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1604 0.4332
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0227 0.8712
Loa Loa (eye worm) hypothetical protein 0.0049 0.0347 0.0856
Leishmania major DNA polymerase eta, putative 0.0042 0.0253 0.0582
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0089 0.1526
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0337 0.4046 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0089 0.0089
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0167 0.0167
Brugia malayi jmjC domain containing protein 0.0095 0.0933 0.2305
Schistosoma mansoni hypothetical protein 0.0029 0.0089 0.0089
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0253 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0191 0.2169 0.5362
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.004 0.0108
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0167 0.0167
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.1604 0.427
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Trypanosoma brucei unspecified product 0.0029 0.0087 0.0129
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0167 0.0413
Mycobacterium ulcerans hypothetical protein 0.0163 0.1817 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0227 0.8712
Trypanosoma brucei glucosidase, putative 0.004 0.0227 0.0509
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0167 0.0167
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0278 0.0651
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0347 0.0856
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0253 0.0626
Echinococcus granulosus dna polymerase eta 0.0042 0.0253 0.0253
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Loa Loa (eye worm) hypothetical protein 0.0042 0.0253 0.0626
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4046 0.4046
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0049 0.0354 0.0875
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0227 0.8712
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0253 0.0582
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0227 0.8712
Schistosoma mansoni eyes absent homolog 0.0087 0.0837 0.0836
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0046 0.0046
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0227 0.8712
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0227 0.8712
Schistosoma mansoni hypothetical protein 0.0536 0.6603 0.6603
Brugia malayi TAR-binding protein 0.0337 0.4046 1
Echinococcus granulosus dna polymerase kappa 0.0042 0.0253 0.0253
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.2169 0.2169
Schistosoma mansoni alpha-glucosidase 0.0154 0.169 0.169
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Onchocerca volvulus Alhambra homolog 0.0029 0.0089 0.085
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.201 0.2009
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0227 0.0612
Schistosoma mansoni DNA polymerase eta 0.0042 0.0253 0.0253
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0227 0.0612
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0227 0.0226
Trypanosoma brucei unspecified product 0.0029 0.0087 0.0129
Trypanosoma brucei unspecified product 0.0042 0.0253 0.0582
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.2169 0.2169
Brugia malayi RNA binding protein 0.0337 0.4046 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0253 0.0582
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0089 0.022
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.022
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0253 0.0253
Brugia malayi PHD-finger family protein 0.0029 0.0089 0.0219
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0227 0.8712
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0253 0.0626
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.201 0.2009

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of MetAP2 assessed as remaining enzyme activity at 200 nM after 8 hrs relative to untreated control ChEMBL. 19929003
IC50 (ADMET) = 0.038 nM Antiproliferative activity against HUVEC after 72 hrs by MTT assay ChEMBL. 19929003

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19929003

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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