Detailed information for compound 766775

Basic information

Technical information
  • TDR Targets ID: 766775
  • Name: N-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-oxo phthalazin-2-yl]propanamide
  • MW: 482.757 | Formula: C23H17BrClN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)Br)CCn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2
  • InChi: 1S/C23H17BrClN3O2/c24-16-4-3-5-18(14-16)26-21(29)12-13-28-23(30)20-7-2-1-6-19(20)22(27-28)15-8-10-17(25)11-9-15/h1-11,14H,12-13H2,(H,26,29)
  • InChiKey: CCPZDUJQEGQURF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-oxo-phthalazin-2-yl]propanamide
  • N-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-oxo-2-phthalazinyl]propanamide
  • N-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]propionamide
  • STOCK3S-93993

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 1 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.4318 1
Onchocerca volvulus 0.0024 0.4318 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Toxoplasma gondii propionate-CoA ligase 0.0007 0 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.2773 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Entamoeba histolytica hypothetical protein 0.0036 0.7482 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.4318 0.5772
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.2773 0.6421
Entamoeba histolytica hypothetical protein 0.0036 0.7482 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Entamoeba histolytica hypothetical protein 0.0036 0.7482 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.4318 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.4318 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.2773 0.6421
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Schistosoma mansoni hypothetical protein 0.0036 0.7482 0.7482
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.4318 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.2773 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Entamoeba histolytica hypothetical protein 0.0036 0.7482 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Brugia malayi hypothetical protein 0.0036 0.7482 0.7482
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.7482 0.7482
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.4318 0.5772
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.2773 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.4318 0.5772
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.4318 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.7482 0.7482
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.4318 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.7482 0.7482
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 1 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.4318 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1

Activities

No activities found for this compound.

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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