Detailed information for compound 71613
Basic information
Technical information
- TDR Targets ID: 71613
- Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-[4-oxo-4-(1 -phenylethoxy)butanoyl]oxyindol-3-yl]acetic a cid
- MW: 547.983 | Formula: C30H26ClNO7
-
H donors: 1
H acceptors: 5
LogP: 5.44
Rotable bonds: 12
Rule of 5 violations (Lipinski): 2 - SMILES: O=C(OC(c1ccccc1)C)CCC(=O)Oc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C
- InChi: 1S/C30H26ClNO7/c1-18-24(17-27(33)34)25-16-23(12-13-26(25)32(18)30(37)21-8-10-22(31)11-9-21)39-29(36)15-14-28(35)38-19(2)20-6-4-3-5-7-20/h3-13,16,19H,14-15,17H2,1-2H3,(H,33,34)
- InChiKey: YSWHREGDDIVEIE-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[1-(4-chlorobenzoyl)-2-methyl-5-[4-oxo-4-(1-phenylethoxy)butanoyl]oxy-indol-3-yl]acetic acid
- 2-[1-[(4-chlorophenyl)-oxomethyl]-5-[1,4-dioxo-4-(1-phenylethoxy)butoxy]-2-methyl-3-indolyl]acetic acid
- 2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-[4-oxo-4-(1-phenylethoxy)butanoyl]oxy-indol-3-yl]ethanoic acid
- 2-[1-(4-chlorobenzoyl)-5-[4-keto-4-(1-phenylethoxy)butanoyl]oxy-2-methyl-indol-3-yl]acetic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Bos taurus | Aldose reductase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.105 | 0.0955 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Trichomonas vaginalis | protein-S isoprenylcysteine O-methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.105 | 0.0955 |
| Echinococcus granulosus | hypothetical protein | 0.0038 | 0.105 | 0.105 |
| Trypanosoma cruzi | prenyl protein specific carboxyl methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0028 | 0.0104 | 0.0104 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.105 | 0.0955 |
| Loa Loa (eye worm) | protein-S isoprenylcysteine O-methyltransferase | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.105 | 0.0955 |
| Toxoplasma gondii | isoprenylcysteine carboxyl methyltransferase (icmt) family protein | 0.0133 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | 0.0133 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0028 | 0.0104 | 0.0104 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0028 | 0.0104 | 0.0104 |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 0.105 | 0.0955 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Entamoeba histolytica | prenyl cysteine carboxyl methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Schistosoma mansoni | protein-s-isoprenylcysteine o-methyltransferase | 0.0133 | 1 | 1 |
| Entamoeba histolytica | prenyl cysteine carboxyl methyltransferase, putative | 0.0133 | 1 | 1 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Trichomonas vaginalis | protein-S isoprenylcysteine O-methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Mycobacterium tuberculosis | Conserved hypothetical membrane protein | 0.0058 | 0.2915 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Mycobacterium ulcerans | hypothetical protein | 0.0058 | 0.2915 | 1 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Schistosoma mansoni | aldo-keto reductase | 0.0038 | 0.105 | 0.0955 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.105 | 0.0955 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0028 | 0.0104 | 0.0104 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.105 | 0.0955 |
| Plasmodium falciparum | protein-S-isoprenylcysteine O-methyltransferase, putative | 0.0133 | 1 | 0.5 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0028 | 0.0104 | 0.0104 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.105 | 0.0955 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0028 | 0.0104 | 0.0104 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.105 | 0.0955 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | protein S isoprenylcysteine O methyltransferase | 0.0133 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.105 | 0.0955 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Entamoeba histolytica | aldose reductase, putative | 0.0038 | 0.105 | 0.0955 |
| Trypanosoma cruzi | prenyl protein specific carboxyl methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Giardia lamblia | Isoprenylcysteine carboxyl methyltransferase | 0.0133 | 1 | 1 |
| Leishmania major | prenyl protein specific carboxyl methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0028 | 0.0104 | 0.0104 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0038 | 0.105 | 0.0955 |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0028 | 0.0104 | 0.0104 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.105 | 0.0955 |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0028 | 0.0104 | 0.0104 |
| Loa Loa (eye worm) | oxidoreductase | 0.0038 | 0.105 | 0.0955 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0028 | 0.0104 | 0.0104 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0038 | 0.105 | 1 |
| Trichomonas vaginalis | protein-S isoprenylcysteine O-methyltransferase, putative | 0.0133 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0028 | 0.0104 | 0.0104 |
| Trypanosoma brucei | prenyl protein specific carboxyl methyltransferase | 0.0133 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0028 | 0.0104 | 0.0104 |
| Echinococcus multilocularis | aldo keto reductase | 0.0038 | 0.105 | 0.105 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0038 | 0.105 | 0.105 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0038 | 0.105 | 0.105 |
| Schistosoma mansoni | pol-related | 0.0038 | 0.105 | 0.0955 |
| Plasmodium vivax | protein-S-isoprenylcysteine O-methyltransferase, putative | 0.0133 | 1 | 0.5 |
| Onchocerca volvulus | 0.0038 | 0.105 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0028 | 0.0104 | 0.0104 |
Activities
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.
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
- PubChem: 10697865
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.