Detailed information for compound 1595077

Basic information

Technical information
  • TDR Targets ID: 1595077
  • Name: AIDS-143366
  • MW: 316.524 | Formula: C21H36N2
  • H donors: 1 H acceptors: 0 LogP: 4.31 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCC2(CC1)N=C1CCC(CC1C1(N2)CCC(CC1)C)C
  • InChi: 1S/C21H36N2/c1-15-6-10-20(11-7-15)18-14-17(3)4-5-19(18)22-21(23-20)12-8-16(2)9-13-21/h15-18,23H,4-14H2,1-3H3
  • InChiKey: SNCVDKMWIGLGTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS143366
  • Dispiro[cyclohexane-1,2'(3'H)-quinazoline-4'(6'H),1''-cyclohexane], 4'a,5',7',8'-tetrahydro-4,4'',6'-trimethyl-
  • NSC663982
  • NCI60_022002

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
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Plasmodium vivax heat shock protein 86, putative 0.0073 0.0147 0.5
Trichomonas vaginalis heat shock protein, putative 0.0058 0.007 0.007
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Treponema pallidum heat shock protein 90 0.0058 0.007 0.5
Trypanosoma brucei Heat shock protein 83, putative 0.0073 0.0147 0.5
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Echinococcus granulosus heat shock protein 90 0.0073 0.0147 1
Plasmodium vivax endoplasmin, putative 0.0073 0.0147 0.5
Loa Loa (eye worm) beta-glucuronidase 0.1821 0.9249 0.9705
Plasmodium falciparum heat shock protein 90 0.0073 0.0147 1
Echinococcus multilocularis heat shock protein 0.0073 0.0147 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.0147 0.5
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.0147 0.5
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.1874 0.9526 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Brugia malayi Beta-glucuronidase precursor 0.1821 0.9249 0.9705
Trypanosoma cruzi Heat shock protein 83, putative 0.0073 0.0147 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Entamoeba histolytica beta-galactosidase, putative 0.1328 0.6681 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0058 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1965 1 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Trypanosoma cruzi heat shock protein 90, putative 0.0073 0.0147 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0058 0.007 0.5
Trichomonas vaginalis heat shock protein, putative 0.0058 0.007 0.007
Toxoplasma gondii heat shock protein HSP90 0.0073 0.0147 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0147 1
Echinococcus granulosus heat shock protein 0.0073 0.0147 1
Toxoplasma gondii heat shock protein 90, putative 0.0073 0.0147 0.5
Trichomonas vaginalis heat shock protein, putative 0.0058 0.007 0.007
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Loa Loa (eye worm) glycosyl hydrolase family 2 0.1874 0.9526 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Echinococcus multilocularis heat shock protein 90 0.0073 0.0147 1
Schistosoma mansoni hypothetical protein 0.0691 0.3362 1
Trichomonas vaginalis beta-mannosidase, putative 0.0637 0.3086 0.3086
Brugia malayi manba-prov protein 0.0637 0.3086 0.3133
Trypanosoma brucei heat shock protein, putative 0.0073 0.0147 0.5
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Trichomonas vaginalis beta-galactosidase, putative 0.1965 1 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Mycobacterium ulcerans heat shock protein 90 0.0058 0.007 0.5
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Schistosoma mansoni beta-mannosidase 0.0637 0.3086 0.914
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Leishmania major heat shock protein 83-1 0.0073 0.0147 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0058 0.007 0.5
Trichomonas vaginalis heat shock protein, putative 0.0073 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.1184 0.593 0.6166

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.527 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) -4.359 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) -4.132 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.019 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 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 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 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 DU-145 Prostate 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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