Detailed information for compound 1381455

Basic information

Technical information
  • TDR Targets ID: 1381455
  • Name: 5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1-phenylp yridine-3-carbonitrile
  • MW: 350.755 | Formula: C19H11ClN2O3
  • H donors: 1 H acceptors: 4 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(cn(c1=O)c1ccccc1)C(=O)c1cc(Cl)ccc1O
  • InChi: 1S/C19H11ClN2O3/c20-14-6-7-17(23)16(9-14)18(24)13-8-12(10-21)19(25)22(11-13)15-4-2-1-3-5-15/h1-9,11,23H
  • InChiKey: QJQPWMOWYLGPDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(5-chloro-2-hydroxy-benzoyl)-2-oxo-1-phenyl-pyridine-3-carbonitrile
  • 5-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-phenyl-3-pyridinecarbonitrile
  • 5-(5-chloro-2-hydroxy-benzoyl)-2-keto-1-phenyl-nicotinonitrile
  • 5-(5-chloro-2-hydroxy-phenyl)carbonyl-2-oxo-1-phenyl-pyridine-3-carbonitrile
  • ZINC03251767
  • MLS000374573
  • SMR000244188
  • T0516-8333

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.037 0.0526
Echinococcus multilocularis cathepsin L cysteine protease 0.0041 0.1787 0.2128
Onchocerca volvulus 0.0033 0.1142 0.3326
Trypanosoma cruzi cysteine peptidase, putative 0.015 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0111 0.7029 1
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.037 0.0526
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0041 0.1787 0.2128
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0041 0.1787 1
Echinococcus multilocularis lamin 0.0033 0.1142 0.116
Echinococcus multilocularis lamin dm0 0.0033 0.1142 0.116
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.1216 0.1272
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0034 0.1216 0.5975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0039 0.1659 0.1937
Echinococcus granulosus cathepsin b 0.0087 0.5265 0.7352
Leishmania major cathepsin L-like protease 0.015 1 1
Brugia malayi intermediate filament protein 0.0033 0.1142 0.1625
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.082 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Toxoplasma gondii cathepsin CPL 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0041 0.1787 0.2128
Entamoeba histolytica cysteine protease, putative 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Echinococcus granulosus cathepsin l1 0.0041 0.1787 0.2128
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0041 0.1787 0.2542
Leishmania major cathepsin L-like protease 0.0041 0.1787 0.0649
Echinococcus granulosus lamin dm0 0.0033 0.1142 0.116
Leishmania major cathepsin L-like protease 0.0041 0.1787 0.0649
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Brugia malayi cathepsin L-like precursor 0.0028 0.082 0.1167
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0034 0.1216 0.0879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.082 0.3182
Onchocerca volvulus 0.0041 0.1787 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0039 0.1659 0.1937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0041 0.1787 0.2542
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0137 0.9034 0.8997
Trypanosoma cruzi cruzipain precursor, putative 0.015 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0041 0.1787 0.2128
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Brugia malayi Cathepsin L-like precursor 0.0028 0.082 0.1167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0041 0.1787 0.2128
Plasmodium vivax vivapain-2 0.0041 0.1787 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Echinococcus multilocularis cysteine protease 0.0041 0.1787 0.2128
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1142 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Echinococcus multilocularis cysteine protease 0.0041 0.1787 0.2128
Trypanosoma brucei RNA helicase, putative 0.0043 0.1939 0.163
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1142 0.1625
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.1787 1
Echinococcus granulosus cathepsin b 0.0087 0.5265 0.7352
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Schistosoma mansoni lamin 0.0033 0.1142 0.116
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0039 0.1659 0.1937
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.1787 0.2128
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0111 0.7029 1
Onchocerca volvulus 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0111 0.7029 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Echinococcus granulosus cathepsin l1 0.0028 0.082 0.0677
Loa Loa (eye worm) hypothetical protein 0.0028 0.082 0.1167
Leishmania major cathepsin L-like protease 0.0041 0.1787 0.0649
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0111 0.7029 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0087 0.5265 0.5084
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0087 0.5265 0.7352
Onchocerca volvulus 0.0041 0.1787 1
Brugia malayi Cathepsin L-like precursor 0.0028 0.082 0.1167
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0039 0.1659 0.1937
Echinococcus granulosus intermediate filament protein 0.0033 0.1142 0.116
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0041 0.1787 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0039 0.1659 0.1937
Onchocerca volvulus Cathepsin L homolog 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0039 0.1659 0.2361
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.082 0.0677
Trypanosoma brucei cysteine peptidase C (CPC) 0.0034 0.1216 0.0879
Loa Loa (eye worm) hypothetical protein 0.0041 0.1787 0.2542
Loa Loa (eye worm) ctsf protein 0.0041 0.1787 0.2542
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0041 0.1787 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0118 0.7617 0.7525
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1142 0.1625
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.082 0.3182
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0087 0.5265 0.7352
Onchocerca volvulus 0.0041 0.1787 1
Echinococcus multilocularis musashi 0.0033 0.1142 0.116
Leishmania major cysteine peptidase A (CPA) 0.0041 0.1787 0.0649
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0111 0.7029 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0041 0.1787 0.2128
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0039 0.1659 0.2361
Leishmania major cathepsin L-like protease 0.015 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.082 0.1167
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0087 0.5265 0.7352
Brugia malayi cathepsin B-like cysteine proteinase 0.0087 0.5265 0.7491
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.1787 1
Brugia malayi Papain family cysteine protease containing protein 0.0041 0.1787 0.2542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.015 1 1
Schistosoma mansoni lamin 0.0033 0.1142 0.116
Onchocerca volvulus 0.0041 0.1787 1
Echinococcus multilocularis cathepsin b 0.0087 0.5265 0.7352
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0087 0.5265 0.7352
Onchocerca volvulus Cathepsin L homolog 0.0041 0.1787 1
Giardia lamblia Cathepsin B precursor 0.0034 0.1216 0.5
Onchocerca volvulus 0.0033 0.1142 0.3326
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0041 0.1787 1
Loa Loa (eye worm) cysteine protease 0.0041 0.1787 0.2542
Trypanosoma cruzi cysteine peptidase, putative 0.0041 0.1787 0.1472
Plasmodium vivax vivapain-2 0.0041 0.1787 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1142 0.1625
Giardia lamblia Cathepsin B precursor 0.0034 0.1216 0.5
Onchocerca volvulus 0.0041 0.1787 1
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.1787 1
Onchocerca volvulus Cathepsin F homolog 0.0041 0.1787 1
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 1 1
Leishmania major cathepsin L-like protease 0.0041 0.1787 0.0649
Loa Loa (eye worm) hypothetical protein 0.0028 0.082 0.1167
Loa Loa (eye worm) hypothetical protein 0.0087 0.5265 0.7491
Onchocerca volvulus 0.0041 0.1787 1
Loa Loa (eye worm) cathepsin B 0.0034 0.1216 0.173
Loa Loa (eye worm) hypothetical protein 0.0032 0.1097 0.1561
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Loa Loa (eye worm) fibroinase 0.0041 0.1787 0.2542
Echinococcus multilocularis cathepsin b 0.0087 0.5265 0.7352
Leishmania major cathepsin L-like protease 0.0041 0.1787 0.0649
Schistosoma mansoni intermediate filament proteins 0.0033 0.1142 0.116
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0041 0.1787 1
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.1787 0.2128
Brugia malayi Cathepsin L-like precursor 0.0041 0.1787 0.2542
Schistosoma mansoni hypothetical protein 0.0043 0.1939 0.2357
Giardia lamblia Cathepsin B precursor 0.0034 0.1216 0.5
Echinococcus granulosus lamin 0.0033 0.1142 0.116
Brugia malayi Cathepsin L-like cysteine proteinase 0.0028 0.082 0.1167

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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