Detailed information for compound 1647659

Basic information

Technical information
  • TDR Targets ID: 1647659
  • Name: (4bR,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,1 0b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2 -one
  • MW: 300.392 | Formula: C19H24O3
  • H donors: 0 H acceptors: 1 LogP: 3.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CC[C@@H]1C2CC[C@]2(C1CCC(=O)O2)C
  • InChi: 1S/C19H24O3/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(20)22-19/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15?,16-,17?,19+/m1/s1
  • InChiKey: INHMMEWBTMZXLR-AFNJWWOFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_023077
  • 2H-Phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6- 10b,11,12,12a-decahydro-8-methoxy-12a-methyl-

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
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0318 0.5257 0.4711
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.1031 0.0936
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0105 0.0105
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Loa Loa (eye worm) PDE1B protein 0.0233 0.3373 0.3215
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0504 0.9392 0.5
Mycobacterium tuberculosis Putative conserved ATPase 0.0318 0.5257 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0086 0.0105 0.0105
Giardia lamblia AAA family ATPase 0.0318 0.5257 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Brugia malayi vesicle-fusing ATPase 0.0312 0.5115 0.6102
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0504 0.9392 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.022 0.3072 0.2999
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.012 0.0851 0.0754
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.012 0.0851 0.0906
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0504 0.9392 0.9335
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0531 1 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0531 1 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0504 0.9392 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.8316 1
Loa Loa (eye worm) hypothetical protein 0.0408 0.7249 0.8535
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0233 0.3373 0.2757
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0199 0.2622 0.3066
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0531 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0199 0.2622 0.1936
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Loa Loa (eye worm) VCP protein 0.022 0.3072 0.2802
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0531 1 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.2622 0.2184
Loa Loa (eye worm) vesicle-fusing ATPase 0.0312 0.5115 0.5606
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0126 0.098 0.098
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0233 0.3373 0.398
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0126 0.098 0.098
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.012 0.0851 0.0906
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Schistosoma mansoni cell division control protein 48 aaa family protein 0.022 0.3072 0.2428
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0456 0.8316 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0233 0.3373 0.3303
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0105 0.0105
Trypanosoma cruzi Valosin-containing protein, putative 0.0504 0.9392 1
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.022 0.3072 0.3614
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Entamoeba histolytica cdc48-like protein, putative 0.0504 0.9392 0.5
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0504 0.9392 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.012 0.0851 0.0906
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.1031 0.0936
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0851 0.0851
Trypanosoma brucei Valosin-containing protein 0.0504 0.9392 1
Loa Loa (eye worm) hypothetical protein 0.0312 0.5115 0.5606
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851
Mycobacterium ulcerans ATPase 0.0318 0.5257 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.012 0.0851 0.0851
Toxoplasma gondii cell division protein CDC48CY 0.0531 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.1031 0.0936
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.1031 0.0197
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.012 0.0851 0.0851
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.012 0.0851 0.0754
Toxoplasma gondii cell division protein CDC48AP 0.0318 0.5257 0.4712
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.1031 0.0936
Brugia malayi valosin containing protein 0.0312 0.5115 0.6102
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0233 0.3373 0.3303
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.012 0.0851 0.0851

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.9 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) -4.899 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) -4.887 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) -4.829 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) -4.819 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) -4.805 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) -4.746 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) -4.692 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) -4.361 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) -4.294 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 HL-60(TB) Leukemia 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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