Detailed information for compound 1002245

Basic information

Technical information
  • TDR Targets ID: 1002245
  • Name: 3,3,10-trimethyl-7H-pyrano[5,6-g]carbazol-9-o l
  • MW: 279.333 | Formula: C18H17NO2
  • H donors: 2 H acceptors: 1 LogP: 4.32 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc2[nH]c3c(c2cc1C)c1C=CC(Oc1cc3)(C)C
  • InChi: 1S/C18H17NO2/c1-10-8-12-14(9-15(10)20)19-13-4-5-16-11(17(12)13)6-7-18(2,3)21-16/h4-9,19-20H,1-3H3
  • InChiKey: KGHHJTRYOSFBOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.6933 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0397 0.5
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0921 0.085
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0492 0.0128
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0397 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 0.9899 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0921 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0423 0.0035
Loa Loa (eye worm) hypothetical protein 0.0168 0.9899 1
Plasmodium falciparum thioredoxin reductase 0.0053 0.2605 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0921 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0921 0.5
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0921 0.085
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0423 0.0035
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0921 1
Onchocerca volvulus 0.0027 0.0921 1
Mycobacterium tuberculosis Probable reductase 0.0121 0.6933 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.2605 0.2323
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0921 1
Treponema pallidum NADH oxidase 0.0018 0.0397 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0134 0.7793 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0921 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0921 0.085
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.6933 0.8837
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0921 0.237
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0921 0.0707
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.6933 0.8837
Toxoplasma gondii thioredoxin reductase 0.0053 0.2605 1
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.2605 0.2246
Echinococcus granulosus muscleblind protein 0.0168 0.9899 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.2605 0.2323
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0423 0.0035
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0921 0.0707
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0397 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0921 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0134 0.7793 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.6933 0.8837
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0492 0.043
Plasmodium vivax glutathione reductase, putative 0.0053 0.2605 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0492 0.043
Loa Loa (eye worm) glutathione reductase 0.0053 0.2605 0.2246
Loa Loa (eye worm) hypothetical protein 0.0027 0.0921 0.0455
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.2605 1
Trypanosoma brucei trypanothione reductase 0.0053 0.2605 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0134 0.7793 1
Plasmodium falciparum glutathione reductase 0.0053 0.2605 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0492 1
Brugia malayi glutathione reductase 0.0053 0.2605 0.2566
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0397 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0397 0.0317
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0423 0.0035
Mycobacterium ulcerans hypothetical protein 0.0027 0.0921 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0134 0.7793 1
Brugia malayi Thioredoxin reductase 0.0053 0.2605 0.2566
Loa Loa (eye worm) hypothetical protein 0.0027 0.0921 0.0455
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0921 0.237
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0121 0.6933 0.8749
Echinococcus multilocularis muscleblind protein 1 0.0168 0.9899 1
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.2605 1
Leishmania major trypanothione reductase 0.0053 0.2605 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0492 0.1815
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0921 1
Brugia malayi Muscleblind-like protein 0.0168 0.9899 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.2605 0.2985
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0397 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0921 1
Echinococcus multilocularis muscleblind protein 0.0168 0.9899 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.6933 0.8837
Loa Loa (eye worm) hypothetical protein 0.0027 0.0921 0.0455
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0921 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0921 0.237

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 60 % Cytotoxicity against human Raji cells at 32 nM after 48 hrs by trypan blue staining method ChEMBL. 15387647
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells at 0.32 nM after 48 hrs by trypan blue staining method ChEMBL. 15387647
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells at 3.2 nM after 48 hrs by trypan blue staining method ChEMBL. 15387647
Activity (ADMET) > 80 % Cytotoxicity against human Raji cells at 16 nM after 48 hrs by trypan blue staining method ChEMBL. 15387647

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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