Detailed information for compound 1592246

Basic information

Technical information
  • TDR Targets ID: 1592246
  • Name: AIDS140747
  • MW: 348.196 | Formula: C18H10BrN3
  • H donors: 0 H acceptors: 2 LogP: 5.48 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1c2c3ccccc3ccn2c2c1nc1ccccc1n2
  • InChi: 1S/C18H10BrN3/c19-15-16-18(21-14-8-4-3-7-13(14)20-16)22-10-9-11-5-1-2-6-12(11)17(15)22/h1-10H
  • InChiKey: HBLBVUNRKGGUAF-UHFFFAOYSA-N  

Network

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Synonyms

  • NSC653853
  • NCI60_018752
  • 14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline
  • AIDS-140747

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
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Brugia malayi hypothetical protein 0.0022 0.0262 0.0166
Echinococcus granulosus exocyst complex component 2 0.0035 0.0902 0.0812
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0035 0.0902 0.5
Echinococcus multilocularis plexin a4 0.0228 1 1
Echinococcus multilocularis hypothetical protein 0.0081 0.3038 0.2969
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0025 0.0409 0.0314
Schistosoma mansoni plexin 0.0193 0.8334 1
Schistosoma mansoni hypothetical protein 0.0112 0.4533 0.5384
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0018 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0035 0.0902 0.0902
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0462 0.0368
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Schistosoma mansoni tyrosine kinase 0.0019 0.0146 0.0059
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0035 0.0902 0.5
Brugia malayi Fibronectin type III domain containing protein 0.0022 0.0262 0.0166
Echinococcus granulosus plexin a4 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0025 0.0409 0.0314
Echinococcus multilocularis transcription factor collier 0.0035 0.0902 0.0812
Echinococcus multilocularis roundabout 2 0.0028 0.0562 0.0469
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Brugia malayi Plexin repeat family protein 0.0193 0.8334 0.8318
Loa Loa (eye worm) sema domain-containing protein 0.0081 0.3038 0.3038
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0035 0.0902 0.5
Onchocerca volvulus 0.0193 0.8334 1
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.1512 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0035 0.0902 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Brugia malayi Sema domain containing protein 0.0081 0.3038 0.2969
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0018 0.0098 0.0098
Schistosoma mansoni plexin 0.0112 0.4533 0.5384
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0035 0.0902 0.0902
Schistosoma mansoni nephrin 0.0025 0.0411 0.038
Brugia malayi Sema domain containing protein 0.0081 0.3038 0.2969
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0902 0.0902
Loa Loa (eye worm) hypothetical protein 0.0035 0.0902 0.0902
Echinococcus granulosus transcription factor collier 0.0035 0.0902 0.0812
Schistosoma mansoni semaphorin 5-related 0.0081 0.3038 0.3569
Loa Loa (eye worm) hypothetical protein 0.0112 0.4533 0.4533
Brugia malayi Probable exocyst complex component Sec5 0.0035 0.0902 0.0812
Echinococcus granulosus roundabout 2 0.0028 0.0562 0.0469
Brugia malayi hypothetical protein 0.0081 0.3038 0.2969
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Schistosoma mansoni hypothetical protein 0.0081 0.3038 0.3569
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0026 0.0462 0.0462
Echinococcus multilocularis semaphorin 5B 0.0081 0.3038 0.2969
Echinococcus granulosus semaphorin 1A 0.0081 0.3038 0.2969
Brugia malayi DNA-binding protein LAG-1 0.0035 0.0902 0.0812
Entamoeba histolytica tyrosin kinase, putative 0.0048 0.1512 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0262 0.0262
Brugia malayi hypothetical protein 0.0081 0.3038 0.2969
Loa Loa (eye worm) sema domain-containing protein 0.0081 0.3038 0.3038
Loa Loa (eye worm) hypothetical protein 0.0081 0.3038 0.3038
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0035 0.0902 0.5
Schistosoma mansoni cell adhesion molecule 0.0025 0.0414 0.0384
Schistosoma mansoni fibrocystin l 0.0035 0.0902 0.0976
Schistosoma mansoni hypothetical protein 0.0035 0.0902 0.0976
Echinococcus granulosus semaphorin 5B 0.0081 0.3038 0.2969
Echinococcus multilocularis exocyst complex component 2 0.0035 0.0902 0.0812
Loa Loa (eye worm) plexin A 0.0228 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0262 0.0166
Loa Loa (eye worm) hypothetical protein 0.0022 0.0262 0.0262
Brugia malayi IPT/TIG domain containing protein 0.0035 0.0902 0.0812
Schistosoma mansoni ephrin receptor 0.0025 0.0409 0.0377
Schistosoma mansoni hypothetical protein 0.0081 0.3038 0.3569
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0902 0.0976
Loa Loa (eye worm) hypothetical protein 0.0193 0.8334 0.8334
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0902 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 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

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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