Detailed information for compound 103333

Basic information

Technical information
  • TDR Targets ID: 103333
  • Name: 1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-ind ene]-5,5'-diol
  • MW: 336.467 | Formula: C23H28O2
  • H donors: 2 H acceptors: 2 LogP: 6.56 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1(C)CC2(c3c1cc(C)c(c3)O)CC(c1c2cc(O)c(c1)C)(C)C
  • InChi: 1S/C23H28O2/c1-13-7-15-17(9-19(13)24)23(11-21(15,3)4)12-22(5,6)16-8-14(2)20(25)10-18(16)23/h7-10,24-25H,11-12H2,1-6H3
  • InChiKey: WDVMGVVMIHWWOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[indane]-5,5'-diol
  • AIDS092645
  • 3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dimetyl-6,6'-diol
  • AIDS-092645
  • ST5446207

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
Plasmodium vivax vivapain-2 0.0117 0.562 1
Leishmania major cysteine peptidase A (CPA) 0.0117 0.562 1
Echinococcus granulosus cathepsin b 0.016 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.01 0.383 0.6541
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Schistosoma mansoni cathepsin F (C01 family) 0.0117 0.562 0.562
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0117 0.562 0.5415
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0067 0.0446 0.0446
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.016 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0117 0.562 0.562
Echinococcus multilocularis cysteine protease 0.0117 0.562 0.562
Schistosoma mansoni cathepsin F (C01 family) 0.0117 0.562 0.562
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0067 0.0446 0.0794
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Onchocerca volvulus Cathepsin L homolog 0.0117 0.562 1
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Loa Loa (eye worm) fibroinase 0.0117 0.562 0.5415
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.01 0.383 0.6815
Plasmodium vivax vivapain-2 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.01 0.383 0.6815
Onchocerca volvulus 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Leishmania major eukaryotic initiation factor 4a, putative 0.01 0.383 0.6541
Echinococcus multilocularis cathepsin L cysteine protease 0.0117 0.562 0.562
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.562 0.562
Loa Loa (eye worm) hypothetical protein 0.016 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.01 0.383 0.383
Echinococcus granulosus cathepsin l1 0.0117 0.562 0.562
Echinococcus multilocularis cysteine protease 0.0117 0.562 0.562
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.562 0.562
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.01 0.383 0.6815
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.01 0.383 0.383
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.562 0.562
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Plasmodium vivax RNA helicase-1, putative 0.01 0.383 0.6815
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.01 0.383 0.383
Trypanosoma cruzi cruzipain precursor, putative 0.0117 0.562 0.562
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.016 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.562 0.562
Onchocerca volvulus 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Onchocerca volvulus Cathepsin L homolog 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1788 0.1405
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.01 0.383 0.6815
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.01 0.383 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Loa Loa (eye worm) hypothetical protein 0.01 0.383 0.3542
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.562 0.5415
Giardia lamblia Translation initiation factor eIF-4A, putative 0.01 0.383 1
Schistosoma mansoni cathepsin F (C01 family) 0.008 0.1788 0.1788
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.008 0.1788 0.1788
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.01 0.383 0.6815
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.01 0.383 0.383
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0117 0.562 1
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562
Plasmodium falciparum cysteine proteinase falcipain 3 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Loa Loa (eye worm) ctsf protein 0.0117 0.562 0.5415
Brugia malayi Cathepsin L-like precursor 0.008 0.1788 0.1788
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Entamoeba histolytica cysteine protease, putative 0.0117 0.562 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0117 0.562 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0067 0.0446 0.0446
Onchocerca volvulus 0.0117 0.562 1
Entamoeba histolytica cysteine proteinase, putative 0.0117 0.562 1
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Onchocerca volvulus 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0067 0.0446 0.0794
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.016 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.562 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0117 0.562 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Leishmania major eukaryotic initiation factor 4a, putative 0.01 0.383 0.6541
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0117 0.562 0.562
Brugia malayi cathepsin L-like precursor 0.008 0.1788 0.1788
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Leishmania major cathepsin L-like protease 0.0117 0.562 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.01 0.383 0.383
Onchocerca volvulus 0.0117 0.562 1
Onchocerca volvulus 0.0117 0.562 1
Echinococcus granulosus cathepsin b 0.016 1 1
Echinococcus multilocularis cathepsin b 0.016 1 1
Onchocerca volvulus Cathepsin F homolog 0.0117 0.562 1
Echinococcus multilocularis cathepsin b 0.016 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0117 0.562 0.562
Entamoeba histolytica cysteine proteinase, putative 0.008 0.1788 0.3182
Treponema pallidum ATP-dependent RNA helicase 0.01 0.383 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.016 1 1
Brugia malayi Cathepsin L-like precursor 0.008 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.008 0.1788 0.1405
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0117 0.562 0.5415
Brugia malayi Cathepsin L-like cysteine proteinase 0.008 0.1788 0.1788
Brugia malayi eukaryotic initiation factor 4A 0.01 0.383 0.383
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.01 0.383 0.383
Echinococcus multilocularis eukaryotic initiation factor 4A 0.01 0.383 0.383
Echinococcus granulosus cathepsin l cysteine peptidase 0.0117 0.562 0.562
Loa Loa (eye worm) hypothetical protein 0.008 0.1788 0.1405
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.01 0.383 0.5329
Plasmodium falciparum eukaryotic initiation factor 4A 0.01 0.383 0.6815
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.008 0.1788 0.3182
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.01 0.383 0.383
Echinococcus granulosus cathepsin L cysteine proteinase 0.0117 0.562 0.562
Echinococcus granulosus cathepsin l1 0.008 0.1788 0.1788
Loa Loa (eye worm) cysteine protease 0.0117 0.562 0.5415
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.562 1
Toxoplasma gondii cathepsin CPL 0.0117 0.562 1
Entamoeba histolytica cysteine proteinase, putative 0.0117 0.562 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0117 0.562 0.562
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.008 0.1788 0.3182
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.016 1 1
Onchocerca volvulus 0.0117 0.562 1
Brugia malayi Cathepsin L-like precursor 0.0117 0.562 0.562

Activities

Activity type Activity value Assay description Source Reference
(binding) Compound was tested in vitro against strand -transfer (ST) activity in the presence of Mn2+ at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715
(binding) Compound was tested in vitro against 3'-processing (TC) in the presence of Mn2+ at a concentration of 200 microM; Na is Not Active. ChEMBL. 10821715
(binding) Compound was tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715
IC50 (functional) = 80 uM In vitro integration activity provided by preintegration complexes isolated from HIV-infected cells ChEMBL. 10821715
LD50 (ADMET) = 10 uM HeLa cell cytotoxicity by MTT cytotoxicity assay ChEMBL. 10821715
LD50 (ADMET) = 10 uM HeLa cell cytotoxicity by MTT cytotoxicity assay ChEMBL. 10821715
NA (binding) 0 Compound was tested in vitro against 3'-processing (TC) in the presence of Mn2+ at a concentration of 200 microM; Na is Not Active. ChEMBL. 10821715
NA (binding) 0 Compound was tested in vitro against strand -transfer (ST) activity in the presence of Mn2+ at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715
NA (binding) 0 Compound was tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715
NA (functional) 0 DNA relaxation activity tested by the inhibition of the type 1B topoisomerase of molluscum contagiosum virus (MCV) at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715
NA (functional) 0 DNA cleavage and religation activity tested by the inhibition of the type 1B topoisomerase of molluscum contagiosum virus (MCV) at a concentration of 200 microM; NA is Not Active. ChEMBL. 10821715

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

1 literature reference was collected for this gene.

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