Detailed information for compound 1594395

Basic information

Technical information
  • TDR Targets ID: 1594395
  • Name: methyl 1,5,11-trimethyl-1,6-dihydropyrido[4,3 -b]carbazole-2-carboxylate
  • MW: 320.385 | Formula: C20H20N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N1C=Cc2c(C1C)c(C)c1c(c2C)[nH]c2c1cccc2
  • InChi: 1S/C20H20N2O2/c1-11-14-9-10-22(20(23)24-4)13(3)17(14)12(2)18-15-7-5-6-8-16(15)21-19(11)18/h5-10,13,21H,1-4H3
  • InChiKey: ACLHFPGAOVTLOA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1,5,11-trimethyl-1,6-dihydropyrido[4,3-b]carbazole-2-carboxylic acid methyl ester
  • NSC643124
  • NCI60_014602

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 Histone deacetylase 1 0.029 0.0918 1
Toxoplasma gondii histone deacetylase HDAC1 0.0109 0.0232 0.2531
Loa Loa (eye worm) histone deacetylase 11 0.0109 0.0232 0.2531
Echinococcus granulosus histone deacetylase 6 0.0109 0.0232 0.0959
Echinococcus granulosus histone deacetylase 7 0.0109 0.0232 0.0959
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.0274 0.0046
Toxoplasma gondii histone deacetylase HDAC2 0.029 0.0918 1
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Trypanosoma brucei histone deacetylase 2 0.0109 0.0232 0.2531
Echinococcus multilocularis histone deacetylase 3 0.029 0.0918 0.3791
Echinococcus granulosus histone deacetylase 0.0109 0.0232 0.0959
Trypanosoma cruzi histone deacetylase 1, putative 0.029 0.0918 1
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.0232 0.2531
Plasmodium vivax histone deacetylase 2, putative 0.0109 0.0232 0.2531
Mycobacterium tuberculosis Probable reductase 0.0108 0.0228 0.0228
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.029 0.0918 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.0228 0.0228
Echinococcus granulosus microtubule associated protein 2 0.0688 0.2423 1
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.0232 0.2531
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.0232 0.2531
Toxoplasma gondii histone deacetylase HDAC4 0.0109 0.0232 0.2531
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.0274 0.0274
Toxoplasma gondii histone deacetylase HDAC3 0.029 0.0918 1
Leishmania major histone deacetylase, putative 0.0109 0.0232 0.2531
Trypanosoma brucei histone deacetylase 4 0.0109 0.0232 0.2531
Loa Loa (eye worm) hypothetical protein 0.029 0.0918 1
Loa Loa (eye worm) histone deacetylase 7A 0.0109 0.0232 0.2531
Echinococcus granulosus histone deacetylase 3 0.029 0.0918 0.3791
Echinococcus multilocularis histone deacetylase 0.0109 0.0232 0.0959
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Leishmania major histone deacetylase, putative 0.0109 0.0232 0.2531
Plasmodium falciparum histone deacetylase 1 0.029 0.0918 1
Plasmodium falciparum histone deacetylase 2 0.0109 0.0232 0.2531
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.0228 0.0228
Echinococcus multilocularis histone deacetylase 7 0.0109 0.0232 0.0959
Echinococcus granulosus histone deacetylase 6 0.0109 0.0232 0.0959
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.029 0.0918 0.5
Entamoeba histolytica histone deacetylase, putative 0.029 0.0918 0.5
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.0274 0.0274
Brugia malayi Histone deacetylase family protein 0.0109 0.0232 0.2531
Brugia malayi histone deacetylase 3 (HD3) 0.029 0.0918 1
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2694 1 1
Plasmodium vivax histone deacetylase, putative 0.0109 0.0232 0.2531
Echinococcus multilocularis histone deacetylase 6 0.0109 0.0232 0.0959
Echinococcus granulosus histone deacetylase 6 0.0109 0.0232 0.0959
Giardia lamblia Histone deacetylase 0.029 0.0918 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.0689 0.0689
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.029 0.0918 0.5
Plasmodium vivax histone deacetylase, putative 0.0109 0.0232 0.2531
Plasmodium vivax histone deacetylase 1, putative 0.029 0.0918 1
Loa Loa (eye worm) histone deacetylase 1 0.029 0.0918 1
Echinococcus multilocularis histone deacetylase 8 0.0109 0.0232 0.0959
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.0232 0.2531
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0688 0.2423 1
Brugia malayi Histone deacetylase family protein 0.0109 0.0232 0.2531
Echinococcus multilocularis histone deacetylase 6 0.0109 0.0232 0.0959
Loa Loa (eye worm) histone deacetylase 0.0109 0.0232 0.2531
Echinococcus multilocularis histone deacetylase 1 0.029 0.0918 0.3791
Toxoplasma gondii histone deacetylase HDAC5 0.0109 0.0232 0.2531
Plasmodium falciparum histone deacetylase, putative 0.0109 0.0232 0.2531
Trypanosoma brucei histone deacetylase, putative 0.0109 0.0232 0.2531
Schistosoma mansoni histone deacetylase 0.029 0.0918 0.3132
Mycobacterium ulcerans TetR family transcriptional regulator 0.2694 1 0.5
Mycobacterium ulcerans transcriptional regulator 0.2694 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.0232 0.2531
Trichomonas vaginalis histone deacetylase, putative 0.029 0.0918 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.029 0.0918 1
Echinococcus multilocularis histone deacetylase 6 0.0109 0.0232 0.0959
Schistosoma mansoni histone deacetylase 0.029 0.0918 0.3132
Loa Loa (eye worm) histone deacetylase 3 0.029 0.0918 1
Trypanosoma cruzi histone deacetylase 1, putative 0.029 0.0918 1
Trypanosoma cruzi histone deacetylase, putative 0.0109 0.0232 0.2531
Echinococcus multilocularis microtubule associated protein 2 0.0688 0.2423 1
Trypanosoma brucei histone deacetylase 1 0.029 0.0918 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0109 0.0232 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.0228 0.0228
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2694 1 0.5
Echinococcus granulosus histone deacetylase 1 0.029 0.0918 0.3791
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.0228 0.0228
Leishmania major histone deacetylase, putative 0.029 0.0918 1
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0274 0.0274
Echinococcus granulosus histone deacetylase 8 0.0109 0.0232 0.0959
Trypanosoma brucei histone deacetylase 3 0.0109 0.0232 0.2531
Brugia malayi histone deacetylase 11 0.0109 0.0232 0.2531
Leishmania major histone deacetylase, putative 0.029 0.0918 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.0228 0.0228

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5 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) -4.767 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) -4.751 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) -4.734 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) -4.717 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) -4.697 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

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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