Detailed information for compound 1633005

Basic information

Technical information
  • TDR Targets ID: 1633005
  • Name: AIDS-132905
  • MW: 276.414 | Formula: C18H28O2
  • H donors: 0 H acceptors: 2 LogP: 4.55 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC23C(C1)(CCCCCCCCCC2)CC(=O)C3
  • InChi: 1S/C18H28O2/c19-15-11-17-9-7-5-3-1-2-4-6-8-10-18(17,13-15)14-16(20)12-17/h1-14H2
  • InChiKey: KDLKIBGVAYXTGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS132905
  • NSC627692
  • NCI60_008864
  • 3a,13a-Propano-1H-cyclopentacyclododecene-2,15(3H)-dione, decahydro-

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 SWI:SNF matrix associated 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1512 0.1512
Loa Loa (eye worm) brahma associated protein 0.0065 1 1
Leishmania major hypothetical protein, conserved 0.0023 0.1512 0.3307
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.4573 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0038 0.4573 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0065 1 1
Schistosoma mansoni TRABID protein (C64 family) 0.0023 0.1512 0.1512
Schistosoma mansoni fusion 0.0023 0.1512 0.1512
Loa Loa (eye worm) hypothetical protein 0.0023 0.1512 0.1512
Loa Loa (eye worm) heat shock protein 90 0.0038 0.4573 0.4573
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0023 0.1512 0.1512
Brugia malayi YY1-associated factor 2 0.0023 0.1512 0.1512
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Onchocerca volvulus 0.0023 0.1512 0.1512
Schistosoma mansoni hypothetical protein 0.0065 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.4573 1
Echinococcus granulosus heat shock protein 90 0.003 0.2995 0.2995
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.1512 0.3307
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.1512 0.3307
Brugia malayi Endoplasmin precursor 0.0038 0.4573 0.4573
Toxoplasma gondii ran binding protein 0.0023 0.1512 0.1512
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Trichomonas vaginalis heat shock protein, putative 0.0023 0.1578 0.1578
Schistosoma mansoni endoplasmin 0.0038 0.4573 0.4573
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0023 0.1512 0.3307
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trichomonas vaginalis heat shock protein, putative 0.003 0.2995 0.2995
Echinococcus multilocularis heat shock protein 0.0038 0.4573 0.4573
Plasmodium vivax endoplasmin, putative 0.0038 0.4573 0.4573
Loa Loa (eye worm) hypothetical protein 0.0023 0.1512 0.1512
Trypanosoma cruzi WLM domain containing protein, putative 0.0023 0.1512 0.3307
Onchocerca volvulus 0.0023 0.1512 0.1512
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.1512 0.3307
Echinococcus multilocularis endoplasmin 0.003 0.2995 0.2995
Trichomonas vaginalis conserved hypothetical protein 0.0065 1 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.003 0.2995 0.2995
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0023 0.1512 0.1512
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.4573 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0023 0.1512 0.1512
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Echinococcus multilocularis heat shock protein 90 0.003 0.2995 0.2995
Trypanosoma brucei Heat shock protein 83, putative 0.0038 0.4573 1
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.1512 0.3307
Loa Loa (eye worm) hypothetical protein 0.0023 0.1512 0.1512
Plasmodium vivax heat shock protein 86, putative 0.0038 0.4573 0.4573
Chlamydia trachomatis DNA topoisomerase I 0.0065 1 0.5
Onchocerca volvulus 0.0023 0.1512 0.1512
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.1512 0.1512
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.1512 0.1512
Echinococcus multilocularis SWI:SNF matrix associated 0.0065 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.003 0.2995 0.5
Trichomonas vaginalis heat shock protein, putative 0.003 0.2995 0.2995
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0065 1 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma cruzi heat shock protein 90, putative 0.0022 0.1398 0.3058
Schistosoma mansoni endoplasmin 0.0038 0.4573 0.4573
Schistosoma mansoni brg-1 associated factor 0.0065 1 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0023 0.1512 0.1512
Trichomonas vaginalis endoplasmin, putative 0.0023 0.1578 0.1578
Echinococcus granulosus zinc finger protein Ran binding 0.0023 0.1512 0.1512
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0065 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.4573 1
Plasmodium vivax hypothetical protein, conserved 0.0065 1 1
Plasmodium falciparum endoplasmin, putative 0.0023 0.1578 0.1578
Plasmodium falciparum heat shock protein 90 0.0038 0.4573 0.4573
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Echinococcus granulosus ring and YY1 binding protein 0.0023 0.1512 0.1512
Echinococcus granulosus endoplasmin 0.003 0.2995 0.2995
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0065 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0065 1 1
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Onchocerca volvulus 0.0023 0.1512 0.1512
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0023 0.1512 0.3307
Mycobacterium ulcerans heat shock protein 90 0.003 0.2995 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0023 0.1512 0.3307
Echinococcus multilocularis SWI:SNF matrix associated 0.0065 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0023 0.1512 0.3307
Trypanosoma cruzi WLM domain containing protein, putative 0.0023 0.1512 0.3307
Leishmania major hypothetical protein, conserved 0.0023 0.1512 0.3307
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0023 0.1512 0.1512
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.1512 0.1512
Schistosoma mansoni zinc finger protein 0.0023 0.1512 0.1512
Onchocerca volvulus 0.0065 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0065 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.003 0.2995 0.655
Treponema pallidum heat shock protein 90 0.003 0.2995 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0023 0.1512 0.1512
Trichomonas vaginalis heat shock protein, putative 0.003 0.2995 0.2995
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.4573 1
Toxoplasma gondii heat shock protein 90, putative 0.0038 0.4573 0.4573
Echinococcus multilocularis ring and YY1 binding protein 0.0023 0.1512 0.1512
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.1512 0.3307
Leishmania major hypothetical protein, conserved 0.0023 0.1512 0.3307
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0023 0.1512 0.3307
Loa Loa (eye worm) endoplasmin 0.0038 0.4573 0.4573
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0023 0.1512 0.1512
Leishmania major hypothetical protein, conserved 0.0023 0.1512 0.3307
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.003 0.2995 0.5
Echinococcus granulosus heat shock protein 90 0.0038 0.4573 0.4573
Brugia malayi heat shock protein 90 0.0038 0.4573 0.4573
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.4573 1
Echinococcus granulosus heat shock protein 0.0038 0.4573 0.4573
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Trypanosoma cruzi heat shock protein 90, putative 0.003 0.2995 0.655
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.1512 0.1512
Brugia malayi brahma associated protein 60 kDa 0.0065 1 1
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Schistosoma mansoni hypothetical protein 0.0065 1 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma cruzi heat shock protein 85, putative 0.003 0.2995 0.655
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Trichomonas vaginalis heat shock protein, putative 0.0038 0.4573 0.4573
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.003 0.2995 0.5
Echinococcus multilocularis heat shock protein 90 0.0038 0.4573 0.4573
Schistosoma mansoni heat shock protein 0.0038 0.4573 0.4573
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0065 1 1
Schistosoma mansoni hypothetical protein 0.0065 1 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Schistosoma mansoni hypothetical protein 0.0023 0.1512 0.1512
Leishmania major hypothetical protein, conserved 0.0023 0.1512 0.3307
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.4573 1
Echinococcus granulosus SWI:SNF matrix associated 0.0065 1 1
Chlamydia trachomatis SWIB complex protein 0.0065 1 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0023 0.1512 0.3307
Toxoplasma gondii heat shock protein HSP90 0.0038 0.4573 0.4573
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Schistosoma mansoni RNA binding protein 0.0023 0.1512 0.1512
Schistosoma mansoni heat shock protein 0.0038 0.4573 0.4573
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0023 0.1512 0.1512
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0038 0.4573 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.1512 0.1512
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0023 0.1512 0.3307
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.4573 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Leishmania major heat shock protein 83-1 0.0038 0.4573 1
Trypanosoma brucei heat shock protein, putative 0.0038 0.4573 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0065 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0065 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.76 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) -4.759 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.755 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) -4.682 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) -4.675 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) -4.609 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
GI50 (functional) -4.538 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) -4.493 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) -4.473 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

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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