Detailed information for compound 1629786

Basic information

Technical information
  • TDR Targets ID: 1629786
  • Name: 1,2,3-tri(phenyl)-2,3,3a,4-tetrahydrocyclopen ta[b]indene-1,4,8b-triol
  • MW: 434.526 | Formula: C30H26O3
  • H donors: 3 H acceptors: 3 LogP: 4.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1c2ccccc2C2(C1C(c1ccccc1)C(C2(O)c1ccccc1)c1ccccc1)O
  • InChi: 1S/C30H26O3/c31-28-23-18-10-11-19-24(23)30(33)27(28)25(20-12-4-1-5-13-20)26(21-14-6-2-7-15-21)29(30,32)22-16-8-3-9-17-22/h1-19,25-28,31-33H
  • InChiKey: QWYCALYVYWPWLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_007701
  • 1,2,3-Triphenyl-2,3,8,8a-tetrahydrocyclopenta[a]indene-3,3a,8(1H)-triol
  • AIDS-131995
  • AIDS131995
  • NSC625123

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 granulosus calcium activated potassium channel 0.0328 0.3207 0.4557
Schistosoma mansoni serine/threonine protein kinase 0.0328 0.3207 0.2967
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0328 0.3207 0.4557
Loa Loa (eye worm) hypothetical protein 0.0027 0.0086 0.007
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0328 0.3207 0.4557
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0086 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0104 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0017 0.5
Schistosoma mansoni serine/threonine kinase 0.0983 1 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0328 0.3207 0.4557
Onchocerca volvulus 0.0027 0.0086 0.5
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0658 0.6629 1
Schistosoma mansoni serine/threonine protein kinase 0.0328 0.3207 0.2967
Mycobacterium ulcerans hypothetical protein 0.0027 0.0086 1
Trichomonas vaginalis CAMK family protein kinase 0.0983 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0104 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0086 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0086 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0104 0.0087
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0086 1
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0983 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0104 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0086 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0325 0.3182 0.294
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0086 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0086 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0086 1
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0658 0.6629 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0086 0.0086
Schistosoma mansoni serine/threonine protein kinase 0.0328 0.3207 0.2967
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0342 0.0326
Schistosoma mansoni hypothetical protein 0.0325 0.3182 0.294
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0086 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0086 0.0086
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0086 1
Schistosoma mansoni serine/threonine protein kinase 0.0328 0.3207 0.2967
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0104 1
Brugia malayi Kinase associated domain 1 family protein 0.0325 0.3182 0.3182
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0017 0.139
Echinococcus multilocularis hypothetical protein 0.0325 0.3182 0.4517
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0086 1
Leishmania major hypothetical protein, conserved 0.0028 0.0104 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0086 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0104 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0328 0.3207 0.2967
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0086 0.0086
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0086 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0086 0.007
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0086 0.5
Brugia malayi hypothetical protein 0.0028 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0325 0.3182 0.317
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0328 0.3207 0.4557
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0104 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0104 1
Echinococcus multilocularis calcium activated potassium channel 0.0328 0.3207 0.4557
Loa Loa (eye worm) hypothetical protein 0.0027 0.0086 0.007

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.235 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) -5.135 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) -5.052 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) -4.942 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) -4.899 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) -4.896 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) -4.877 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) -4.872 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

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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