Detailed information for compound 833328

Basic information

Technical information
  • TDR Targets ID: 833328
  • Name: 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-fluor ophenyl)acetamide
  • MW: 323.321 | Formula: C18H14FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1ncc2c1c1ccccc1OC2)Nc1ccc(cc1)F
  • InChi: 1S/C18H14FN3O2/c19-13-5-7-14(8-6-13)21-17(23)10-22-18-12(9-20-22)11-24-16-4-2-1-3-15(16)18/h1-9H,10-11H2,(H,21,23)
  • InChiKey: IULRNGUTBJPIJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-fluorophenyl)ethanamide

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 granulosus adenosylhomocysteinase 0.0802 0.5785 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0106 0.0112
Schistosoma mansoni adenosylhomocysteinase 0.0497 0.353 0.6103
Loa Loa (eye worm) adenosylhomocysteinase 0.0802 0.5785 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0162 0.1065 0.1841
Schistosoma mansoni adenosylhomocysteinase 0.0497 0.353 0.6103
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0204 0.1376 0.2379
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Giardia lamblia DINP protein human, muc B family 0.0018 0 0.5
Onchocerca volvulus 0.0032 0.0106 0.0542
Brugia malayi beta-lactamase 0.0032 0.0106 0.0183
Schistosoma mansoni adenosylhomocysteinase 0.0802 0.5785 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0106 0.0183
Mycobacterium ulcerans lipase LipD 0.0032 0.0106 0.0183
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0802 0.5785 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0106 0.0183
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0802 0.5785 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0802 0.5785 1
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0106 0.0183
Mycobacterium ulcerans hypothetical protein 0.0032 0.0106 0.0183
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Echinococcus granulosus histone lysine methyltransferase setb 0.0023 0.0042 0.0072
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0802 0.5785 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0023 0.0042 0.0072
Trichomonas vaginalis set domain proteins, putative 0.0184 0.123 0.2126
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0252 0.1727 0.2985
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0802 0.5785 1
Mycobacterium tuberculosis Probable hydrolase 0.0032 0.0106 0.0183
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0802 0.5785 1
Loa Loa (eye worm) beta-lactamase 0.0032 0.0106 0.0183
Plasmodium falciparum adenosylhomocysteinase 0.0802 0.5785 0.5
Brugia malayi Pre-SET motif family protein 0.0162 0.1065 0.1841
Mycobacterium tuberculosis Probable esterase LipL 0.0032 0.0106 0.0183
Mycobacterium ulcerans beta-lactamase 0.0032 0.0106 0.0183
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0106 0.0183
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0023 0.0042 0.0072
Toxoplasma gondii ABC1 family protein 0.0032 0.0106 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0023 0.0042 0.0072
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0802 0.5785 1
Brugia malayi Adenosylhomocysteinase 0.0802 0.5785 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0023 0.0042 0.0042
Schistosoma mansoni adenosylhomocysteinase 0.0497 0.353 0.6103
Mycobacterium tuberculosis Probable lipase LipD 0.0032 0.0106 0.0183
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0106 0.0183
Toxoplasma gondii adenosylhomocysteinase, putative 0.0802 0.5785 1
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0802 0.5785 1
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0032 0.0106 0.0183
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0106 0.0183
Trichomonas vaginalis esterase, putative 0.0032 0.0106 0.0183
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0106 0.0183
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Conserved protein 0.0032 0.0106 0.0183
Onchocerca volvulus 0.0184 0.123 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0106 0.0106
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0023 0.0042 0.0042
Brugia malayi Pre-SET motif family protein 0.0023 0.0042 0.0072
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0106 0.0183
Onchocerca volvulus 0.0032 0.0106 0.0542
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Conserved protein 0.0032 0.0106 0.0183
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0802 0.5785 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0802 0.5785 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0032 0.0106 0.0183
Entamoeba histolytica adenosylhomocysteinase, putative 0.0802 0.5785 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0106 0.0183
Brugia malayi beta-lactamase family protein 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Conserved protein 0.0032 0.0106 0.0183
Brugia malayi beta-lactamase family protein 0.0032 0.0106 0.0183
Schistosoma mansoni adenosylhomocysteinase 0.0497 0.353 0.6103
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0023 0.0042 0.0072
Mycobacterium ulcerans esterase/lipase LipP 0.0032 0.0106 0.0183
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0106 0.0183
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Probable lipase LipE 0.0032 0.0106 0.0183
Onchocerca volvulus 0.0032 0.0106 0.0542
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0072
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0802 0.5785 1
Leishmania major hypothetical protein, conserved 0.0032 0.0106 0.0183
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0032 0.0106 0.0183
Echinococcus multilocularis adenosylhomocysteinase 0.0802 0.5785 0.5785
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0022 0.0035 0.0061

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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