Detailed information for compound 1487658

Basic information

Technical information
  • TDR Targets ID: 1487658
  • Name: (E)-3-(4-chlorophenyl)-2-cyano-N-pyridin-3-yl prop-2-enamide
  • MW: 283.712 | Formula: C15H10ClN3O
  • H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc(cc1)Cl)/C(=O)Nc1cccnc1
  • InChi: 1S/C15H10ClN3O/c16-13-5-3-11(4-6-13)8-12(9-17)15(20)19-14-2-1-7-18-10-14/h1-8,10H,(H,19,20)/b12-8+
  • InChiKey: KIOPZTQYNSVELJ-XYOKQWHBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-chlorophenyl)-2-cyano-N-pyridin-3-ylprop-2-enamide
  • (E)-3-(4-chlorophenyl)-2-cyano-N-(3-pyridyl)prop-2-enamide
  • 3-(4-chlorophenyl)-2-cyano-N-(3-pyridyl)prop-2-enamide
  • (E)-3-(4-chlorophenyl)-2-cyano-N-(3-pyridyl)acrylamide
  • 3-(4-chlorophenyl)-2-cyano-N-(3-pyridyl)acrylamide
  • (E)-3-(4-chlorophenyl)-2-cyano-N-pyridin-3-yl-prop-2-enamide
  • 3-(4-chlorophenyl)-2-cyano-N-pyridin-3-yl-prop-2-enamide
  • SMR000431355
  • ZINC01803216
  • STOCK3S-12875
  • (E)-3-(4-Chloro-phenyl)-2-cyano-N-pyridin-3-yl-acrylamide
  • MLS000768043

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae protein transporter TIM23 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Saccharomyces cerevisiae protein transporter TIM10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Theileria parva mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum Tim10/DDP family zinc finger containing protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva mitochondrial import inner membrane translocase, putative Get druggable targets OG5_128152 All targets in OG5_128152
Loa Loa (eye worm) transport to inner mitochondrial membrane family member Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium yoelii small zinc finger-like protein-related Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Babesia bovis mitochondrial transport complex Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus granulosus expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 Get druggable targets OG5_128839 All targets in OG5_128839
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis mitochondrial import inner membrane protein, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Neospora caninum hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Toxoplasma gondii TIM10 family protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Neospora caninum mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis membrane bound transcription factor site 1 0.0386 0.0369 0.0458
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0386 0.0369 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.2135 0.2315 0.2315
Schistosoma mansoni furin-1 (S08 family) 0.3932 0.4315 0.4315
Mycobacterium leprae Possible secreted protease 0.0386 0.0369 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0386 0.0369 0.5
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0386 0.0369 0.0369
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.1748 0.1885 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0386 0.0369 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0386 0.0369 0.0369
Toxoplasma gondii subtilisin SUB6 0.0386 0.0369 1
Echinococcus granulosus neuroendocrine convertase 2 0.568 0.6261 0.6261
Trichomonas vaginalis hypothetical protein 0.1748 0.1885 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Echinococcus granulosus membrane bound transcription factor site 1 0.0386 0.0369 0.0369
Loa Loa (eye worm) endoprotease bli-4 0.9038 1 1
Echinococcus multilocularis 0.729 0.8054 1
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0386 0.0369 0.5
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0386 0.0369 0.0458
Toxoplasma gondii subtilisin SUB5 0.0386 0.0369 1
Toxoplasma gondii subtilisin SUB8 0.0386 0.0369 1
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Echinococcus granulosus furin 0.9038 1 1
Loa Loa (eye worm) hypothetical protein 0.9038 1 1
Toxoplasma gondii subtilisin SUB1 0.0386 0.0369 1
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0386 0.0369 0.5
Plasmodium vivax subtilisin-like protease 2, putative 0.0386 0.0369 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0386 0.0369 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5493 0.6054 1
Onchocerca volvulus 0.0386 0.0369 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Brugia malayi proprotein convertase 2 0.568 0.6261 0.6261
Plasmodium vivax subtilisin-like protease 1 0.0386 0.0369 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.5493 0.6054 0.7516
Brugia malayi Subtilase family protein 0.0386 0.0369 0.0369
Toxoplasma gondii subtilisin SUB4 0.0386 0.0369 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.0369 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0058 0.0003 0.0003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0386 0.0369 0.0369
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.1748 0.1885 0.2667
Toxoplasma gondii subtilisin SUB7 0.0386 0.0369 1
Echinococcus multilocularis neuroendocrine convertase 2 0.568 0.6261 0.7774
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0386 0.0369 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0386 0.0369 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.5493 0.6054 1
Schistosoma mansoni hypothetical protein 0.1748 0.1885 0.1885
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0386 0.0369 0.0369
Trypanosoma cruzi subtilisin peptidase 0.0386 0.0369 0.5
Trypanosoma brucei subtilisin peptidase 0.0386 0.0369 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Loa Loa (eye worm) subtilase 0.0386 0.0369 0.0369
Plasmodium falciparum subtilisin-like protease 3 0.0386 0.0369 1
Toxoplasma gondii subtilisin SUB9 0.0386 0.0369 1
Brugia malayi neuroendocrine convertase 1 precursor 0.568 0.6261 0.6261
Giardia lamblia High cysteine membrane protein Group 2 0.3359 0.3677 1
Toxoplasma gondii subtilisin SUB2 0.0386 0.0369 1
Toxoplasma gondii subtilisin SUB12 0.0386 0.0369 1
Plasmodium vivax subtilisin-like serine protease, putative 0.0386 0.0369 1
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0058 0.0003 0.0003
Toxoplasma gondii subtilisin SUB10 0.0386 0.0369 1
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2135 0.2315 0.3423
Leishmania major subtilisin-like serine peptidase 0.0386 0.0369 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Echinococcus multilocularis expressed protein 0.0058 0.0003 0.0003
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0386 0.0369 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Toxoplasma gondii subtilisin SUB11 0.0386 0.0369 1
Brugia malayi celfurPC protein 0.729 0.8054 0.8054
Loa Loa (eye worm) hypothetical protein 0.3545 0.3885 0.3885
Schistosoma mansoni site-1 peptidase (S08 family) 0.0386 0.0369 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Schistosoma mansoni site-1 peptidase (S08 family) 0.0386 0.0369 0.0369
Echinococcus granulosus expressed protein 0.0058 0.0003 0.0003
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.5493 0.6054 0.6054
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0058 0.0003 0.0003
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0386 0.0369 0.0369
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0386 0.0369 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.9038 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Echinococcus granulosus Furin 1 0.2135 0.2315 0.2315
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0386 0.0369 0.5
Plasmodium falciparum subtilisin-like protease 2 0.0386 0.0369 1
Echinococcus multilocularis Furin 1 0.2135 0.2315 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.1748 0.1885 0.2667
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0386 0.0369 0.5
Plasmodium falciparum subtilisin-like protease 1 0.0386 0.0369 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.1748 0.1885 0.2667
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0386 0.0369 0.5
Loa Loa (eye worm) proprotein convertase 2 0.2135 0.2315 0.2315

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.72 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463212, AID463216, AID504657, AID504672] ChEMBL. No reference
IC50 (functional) = 14.2 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 16 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 24.3 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463212, AID463216, AID493002] ChEMBL. No reference
IC50 (functional) = 25.6 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent tim10-1 yeast counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1: a luminescent tim10-1 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463216, AID493002] ChEMBL. No reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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