Detailed information for compound 1636084

Basic information

Technical information
  • TDR Targets ID: 1636084
  • Name: 10a-methyl-5-phenyl-3a,4,10,10b-tetrahydrofur o[3,4-a]carbazole-1,3-dione
  • MW: 331.365 | Formula: C21H17NO3
  • H donors: 1 H acceptors: 2 LogP: 2.64 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC(=O)C2C1CC(=C1C2(C)Nc2c1cccc2)c1ccccc1
  • InChi: 1S/C21H17NO3/c1-21-17(13-9-5-6-10-16(13)22-21)14(12-7-3-2-4-8-12)11-15-18(21)20(24)25-19(15)23/h2-10,15,18,22H,11H2,1H3
  • InChiKey: VLCGADBNBBMNEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 10a-methyl-5-phenyl-3a,4,10,10b-tetrahydrofuro[3,4-a]carbazole-1,3-quinone
  • AIDS135881
  • NSC636517
  • NCI60_012149
  • 10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione
  • AIDS-135881

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
Brugia malayi hypothetical protein 0.0079 0.064 0.2011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0178 0.0714
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0079 0.064 0.5
Loa Loa (eye worm) hypothetical protein 0.0248 0.3181 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0203 0.2493 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0178 0.056
Schistosoma mansoni hypothetical protein 0.018 0.2154 0.8639
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0203 0.2493 0.7709
Echinococcus granulosus lysine specific histone demethylase 1A 0.0079 0.064 0.1537
Schistosoma mansoni amine oxidase 0.0079 0.064 0.2565
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0217 0.0683
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0079 0.064 0.2565
Leishmania major UDP-galactopyranose mutase 0.0079 0.064 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0251 0.0789
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0178 0.056
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0079 0.064 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.064 0.2011
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0079 0.064 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.2493 0.7838
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.3181 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0624 0.8818 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0079 0.064 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0079 0.064 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0251 0.0789
Plasmodium vivax hypothetical protein, conserved 0.0079 0.064 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0079 0.064 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0178 0.0714
Echinococcus multilocularis 0.0079 0.064 0.1537
Schistosoma mansoni hypothetical protein 0.0051 0.0217 0.0871
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0703 1 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0079 0.064 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.269 0.8456
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0079 0.064 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0079 0.064 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.064 0.2011
Loa Loa (eye worm) hypothetical protein 0.0053 0.0251 0.0789
Brugia malayi SWIRM domain containing protein 0.0216 0.269 0.8456
Plasmodium vivax hypothetical protein, conserved 0.0079 0.064 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0251 0.0789
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0178 0.0714
Trypanosoma cruzi UDP-galactopyranose mutase 0.0079 0.064 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0079 0.064 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0092 0.0836 0.2629
Schistosoma mansoni amine oxidase 0.0079 0.064 0.2565
Onchocerca volvulus 0.0216 0.269 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0079 0.064 0.1537
Echinococcus multilocularis geminin 0.018 0.2154 0.6579
Schistosoma mansoni hypothetical protein 0.018 0.2154 0.8639
Echinococcus granulosus lysine specific histone demethylase 1A 0.0203 0.2493 0.7709
Loa Loa (eye worm) hypothetical protein 0.0203 0.2493 0.7838
Schistosoma mansoni survival motor neuron protein 0.0051 0.0217 0.0871
Brugia malayi hypothetical protein 0.0248 0.3181 1
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.3181 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0836 0.2629
Echinococcus granulosus geminin 0.018 0.2154 0.6579

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 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 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 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 HL-60(TB) Leukemia 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
GI50 (functional) -4 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

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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