Detailed information for compound 1612505

Basic information

Technical information
  • TDR Targets ID: 1612505
  • Name: 5-tert-Butyl-2-(3-methoxyphenyl)benzo[c]pyrro lo[3,4-a]carbazole-1,3(2H,12H)-dione
  • MW: 448.512 | Formula: C29H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 6.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1c(=O)c2c(c1=O)c1[nH]c3c(c1c1c2cc(cc1)C(C)(C)C)cccc3
  • InChi: 1S/C29H24N2O3/c1-29(2,3)16-12-13-19-21(14-16)24-25(26-23(19)20-10-5-6-11-22(20)30-26)28(33)31(27(24)32)17-8-7-9-18(15-17)34-4/h5-15,30H,1-4H3
  • InChiKey: NJRCHKGEXBFROF-UHFFFAOYSA-N  

Network

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Synonyms

  • AIDS-138470
  • AIDS138470
  • NSC645320
  • NCI60_015457

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
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0026 0.5
Loa Loa (eye worm) hypothetical protein 0.2 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0028 0.0029
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0041 0.0906
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.0041 0.7399
Onchocerca volvulus 0.0034 0.0026 0.4724
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0055 1
Trichomonas vaginalis chromobox protein, putative 0.004 0.0055 0.1787
Leishmania major hypothetical protein, conserved 0.0034 0.0026 0.5
Mycobacterium leprae Probable lipase LipE 0.0034 0.0026 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0034 0.0026 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0028 0.0029
Loa Loa (eye worm) hypothetical protein 0.2 1 1
Mycobacterium ulcerans beta-lactamase 0.0034 0.0026 0.5
Mycobacterium ulcerans lipase LipD 0.0034 0.0026 0.5
Schistosoma mansoni chromobox protein 0.0066 0.0188 0.2486
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0041 0.0906
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0034 0.0026 0.5
Echinococcus granulosus chromobox protein 1 0.0066 0.0188 0.2486
Mycobacterium ulcerans hypothetical protein 0.0034 0.0026 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0028 0.5
Onchocerca volvulus 0.0034 0.0026 0.4724
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0218 0.096 1
Loa Loa (eye worm) heterochromatin protein 1 0.0066 0.0188 0.0188
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0026 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0028 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0026 0.5
Schistosoma mansoni chromobox protein 0.0066 0.0188 0.2486
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Echinococcus multilocularis chromobox protein 1 0.0066 0.0188 0.2486
Schistosoma mansoni hypothetical protein 0.0163 0.0678 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0034 0.0026 0.0026
Echinococcus multilocularis geminin 0.0163 0.0678 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.2 1 1
Schistosoma mansoni hypothetical protein 0.0163 0.0678 1
Toxoplasma gondii hypothetical protein 0.2 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Loa Loa (eye worm) beta-lactamase 0.0034 0.0026 0.0026
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0028 0.0029
Entamoeba histolytica hypothetical protein 0.0035 0.0028 0.5
Echinococcus granulosus chromobox protein 1 0.0066 0.0188 0.2486
Trichomonas vaginalis chromobox protein, putative 0.0066 0.0188 1
Brugia malayi chromobox protein homolog 3 0.0037 0.0041 0.0906
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Brugia malayi hypothetical protein 0.0035 0.0028 0.0118
Brugia malayi Heterochromatin protein 1 0.0066 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0041 0.0041
Echinococcus granulosus geminin 0.0163 0.0678 1
Trichomonas vaginalis chromobox protein, putative 0.0066 0.0188 1
Trypanosoma brucei hypothetical protein, conserved 0.0034 0.0026 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0028 0.5
Echinococcus multilocularis chromobox protein 1 0.0066 0.0188 0.2486
Onchocerca volvulus 0.0034 0.0026 0.4724
Entamoeba histolytica hypothetical protein 0.0035 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0026 0.0026
Trichomonas vaginalis chromobox protein, putative 0.004 0.0055 0.1787
Mycobacterium leprae conserved hypothetical protein 0.0034 0.0026 0.5

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 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 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 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 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

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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