Detailed information for compound 1072091

Basic information

Technical information
  • TDR Targets ID: 1072091
  • Name: 2-[4-[(3,5-dichlorophenyl)methyl]-3-dimethyla mino-5-methylpyrazol-1-yl]ethanol
  • MW: 328.237 | Formula: C15H19Cl2N3O
  • H donors: 1 H acceptors: 2 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1nc(c(c1C)Cc1cc(Cl)cc(c1)Cl)N(C)C
  • InChi: 1S/C15H19Cl2N3O/c1-10-14(8-11-6-12(16)9-13(17)7-11)15(19(2)3)18-20(10)4-5-21/h6-7,9,21H,4-5,8H2,1-3H3
  • InChiKey: SIHNEZPENYPFQN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[(3,5-dichlorophenyl)methyl]-3-dimethylamino-5-methyl-pyrazol-1-yl]ethanol
  • 2-[4-[(3,5-dichlorophenyl)methyl]-3-dimethylamino-5-methyl-1-pyrazolyl]ethanol
  • 2-[4-(3,5-dichlorobenzyl)-3-dimethylamino-5-methyl-pyrazol-1-yl]ethanol

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 0.0018 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
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0397 0.5
Schistosoma mansoni ferritin 0.0009 0.0397 0.0397
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.2773 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.4318 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Schistosoma mansoni ferritin 0.0009 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0397 0.0919
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.4318 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.4318 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.2773 0.6421
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.4318 0.4318
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1
Schistosoma mansoni apoferritin-2 0.0009 0.0397 0.0397
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0397 0.0919
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0397 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.2524 0.5844
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.2773 1
Schistosoma mansoni apoferritin-2 0.0009 0.0397 0.0397
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.4318 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.4318 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Schistosoma mansoni ferritin light chain 0.0009 0.0397 0.0397
Mycobacterium ulcerans hypothetical protein 0.0024 0.4318 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.4318 1
Schistosoma mansoni ferritin light chain 0.0009 0.0397 0.0397
Echinococcus granulosus ferritin 0.0009 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.4318 1
Trichomonas vaginalis ferritin, putative 0.0009 0.0397 1
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0397 0.0919
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.4318 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
Schistosoma mansoni ferritin 0.0009 0.0397 0.0397
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.4318 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0397 0.0919
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0397 0.0919
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.2773 1
Echinococcus multilocularis ferritin 0.0009 0.0397 0.0397
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
Echinococcus granulosus expressed protein 0.0009 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Onchocerca volvulus 0.0024 0.4318 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.4318 1
Schistosoma mansoni ferritin 0.0009 0.0397 0.0397
Echinococcus multilocularis expressed protein 0.0009 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0018 0.2773 0.2773
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.4318 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.4318 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.4318 0.4318
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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.