Detailed information for compound 1886269

Basic information

Technical information
  • TDR Targets ID: 1886269
  • Name: 2-[(3-chloro-2-methylphenyl)amino]-N-(1-cyclo propylethylideneamino)acetamide
  • MW: 279.765 | Formula: C14H18ClN3O
  • H donors: 2 H acceptors: 1 LogP: 2.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNc1cccc(c1C)Cl)N/N=C(/C1CC1)\C
  • InChi: 1S/C14H18ClN3O/c1-9-12(15)4-3-5-13(9)16-8-14(19)18-17-10(2)11-6-7-11/h3-5,11,16H,6-8H2,1-2H3,(H,18,19)/b17-10+
  • InChiKey: URJBUDLSJYDMEZ-LICLKQGHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3-chloro-2-methyl-phenyl)amino]-N-(1-cyclopropylethylideneamino)acetamide
  • 2-[(3-chloro-2-methyl-phenyl)amino]-N-(1-cyclopropylethylideneamino)ethanamide
  • BAS 02284872
  • SMR000286932
  • ST5263625
  • MLS000709765
  • ARONIS005702

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Echinococcus multilocularis cytoplasmic intermediate filament protein 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
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
Brugia malayi intermediate filament protein 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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 expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin 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
Schistosoma mansoni lamin 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 multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Schistosoma mansoni intermediate filament proteins 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 1 1
Brugia malayi jmjC domain containing protein 0.0019 0.0279 0.0279
Onchocerca volvulus 0.0033 0.2822 0.5
Schistosoma mansoni jumonji domain containing protein 0.0071 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 1 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0279 0.5
Brugia malayi intermediate filament protein 0.0033 0.2822 0.2822
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0279
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0279 0.0279
Onchocerca volvulus 0.0033 0.2822 0.5
Plasmodium vivax JmjC domain containing protein 0.0019 0.0279 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.2822 0.2822
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0279 0.5
Echinococcus granulosus lamin 0.0033 0.2822 0.2616
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0279 0.5
Brugia malayi jmjC domain containing protein 0.0019 0.0279 0.0279
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 1 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0279 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2822 0.2822
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0279
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0279 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.2711 0.2711
Schistosoma mansoni lamin 0.0033 0.2822 0.2616
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2822 0.2822
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2822 0.2822
Leishmania major hypothetical protein, conserved 0.0019 0.0279 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 1 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0279 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.2822 0.2616
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 1 1
Echinococcus granulosus lamin dm0 0.0033 0.2822 0.2616
Echinococcus granulosus lysine specific demethylase 5A 0.0071 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 1 1
Echinococcus multilocularis musashi 0.0033 0.2822 0.2616
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0279 0.0279
Schistosoma mansoni intermediate filament proteins 0.0033 0.2822 0.2616
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0279
Schistosoma mansoni lamin 0.0033 0.2822 0.2616
Brugia malayi jmjC domain containing protein 0.0071 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.2822 0.2616
Echinococcus multilocularis lamin 0.0033 0.2822 0.2616
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0279 0.0279
Brugia malayi jmjC domain containing protein 0.0019 0.0279 0.0279
Brugia malayi jmjC domain containing protein 0.0019 0.0279 0.0279

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0089 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.