Detailed information for compound 1671573

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.418 | Formula: C20H26O4
  • H donors: 2 H acceptors: 4 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1=C(O)C(=O)c2c(C1=O)ccc(c2CCCC(O)(C)C)C)C
  • InChi: 1S/C20H26O4/c1-11(2)15-17(21)14-9-8-12(3)13(7-6-10-20(4,5)24)16(14)19(23)18(15)22/h8-9,11,22,24H,6-7,10H2,1-5H3
  • InChiKey: SETMNJMIFBZFHB-UHFFFAOYSA-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 multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.1889 0.4427
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0022 0.0358 0.0774
Loa Loa (eye worm) hypothetical protein 0.0043 0.237 0.237
Schistosoma mansoni hypothetical protein 0.0034 0.1569 0.3391
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0549 0.1287
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.4268 1
Echinococcus multilocularis zinc finger protein 0.002 0.0253 0.0592
Loa Loa (eye worm) hypothetical protein 0.005 0.3085 0.3085
Schistosoma mansoni zinc finger protein 0.002 0.0253 0.0546
Brugia malayi Bromodomain containing protein 0.004 0.2126 0.1454
Loa Loa (eye worm) hypothetical protein 0.0074 0.5371 0.5371
Brugia malayi Bromodomain containing protein 0.0078 0.5799 0.5441
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0549 0.1188
Echinococcus granulosus zinc finger protein 0.002 0.0253 0.0592
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0358 0.0358
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1569 0.0849
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.3085 0.2495
Loa Loa (eye worm) hypothetical protein 0.0045 0.2561 0.2561
Loa Loa (eye worm) transcription factor SMAD2 0.0122 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.4268 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.4626 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0549 0.1287
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.1889 0.4427
Loa Loa (eye worm) hypothetical protein 0.004 0.2133 0.2133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.3085 0.3085
Loa Loa (eye worm) hypothetical protein 0.0034 0.1569 0.1569
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.3085 0.2495

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.332 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.227 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.201 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.119 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.106 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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