Detailed information for compound 1428784

Basic information

Technical information
  • TDR Targets ID: 1428784
  • Name: N-(4-chlorophenyl)-6-methoxy-N'-prop-2-enyl-1 ,3,5-triazine-2,4-diamine
  • MW: 291.736 | Formula: C13H14ClN5O
  • H donors: 2 H acceptors: 3 LogP: 3.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1nc(Nc2ccc(cc2)Cl)nc(n1)OC
  • InChi: 1S/C13H14ClN5O/c1-3-8-15-11-17-12(19-13(18-11)20-2)16-10-6-4-9(14)5-7-10/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19)
  • InChiKey: UQGQEDCHOHOQQX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N'-allyl-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
  • [4-(allylamino)-6-methoxy-s-triazin-2-yl]-(4-chlorophenyl)amine
  • ChemDiv3_013762
  • MLS000682671
  • N-allyl-N'-(4-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
  • SMR000312028
  • EU-0032581
  • Oprea1_414708

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

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
Onchocerca volvulus 0.0167 0.1586 1
Echinococcus granulosus carboxylesterase 5A 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0167 0.1586 0.1586
Echinococcus multilocularis neuroligin 0.0167 0.1586 0.1586
Echinococcus multilocularis acetylcholinesterase 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Mycobacterium tuberculosis Carboxylesterase LipT 0.0167 0.1586 0.5
Echinococcus granulosus neuroligin 0.0167 0.1586 0.1586
Loa Loa (eye worm) carboxylesterase 0.099 1 1
Echinococcus granulosus acetylcholinesterase 0.099 1 1
Loa Loa (eye worm) carboxylesterase 0.0167 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.099 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0167 0.1586 0.1586
Brugia malayi Carboxylesterase family protein 0.0167 0.1586 0.1586
Onchocerca volvulus 0.0167 0.1586 1
Echinococcus multilocularis carboxylesterase 5A 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0167 0.1586 0.1586
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0167 0.1586 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Schistosoma mansoni neuroligin 3 (S09 family) 0.0167 0.1586 0.1586
Loa Loa (eye worm) carboxylesterase 0.0167 0.1586 0.1586
Mycobacterium ulcerans carboxylesterase, LipT 0.0167 0.1586 0.5
Onchocerca volvulus 0.0167 0.1586 1
Onchocerca volvulus 0.0167 0.1586 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.099 1 1
Brugia malayi hypothetical protein 0.0167 0.1586 0.1586
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.099 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0167 0.1586 0.1586
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0167 0.1586 0.1586
Schistosoma mansoni gliotactin 0.0167 0.1586 0.1586
Brugia malayi Carboxylesterase family protein 0.0167 0.1586 0.1586
Echinococcus multilocularis para nitrobenzyl esterase 0.0167 0.1586 0.1586
Trichomonas vaginalis spcc417.12 protein, putative 0.0167 0.1586 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0167 0.1586 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0167 0.1586 0.1586
Echinococcus granulosus BC026374 protein S09 family 0.0167 0.1586 0.1586
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0167 0.1586 0.5
Onchocerca volvulus 0.0167 0.1586 1
Echinococcus granulosus para nitrobenzyl esterase 0.0167 0.1586 0.1586
Schistosoma mansoni BC026374 protein (S09 family) 0.0167 0.1586 0.1586
Schistosoma mansoni acetylcholinesterase 0.0167 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0167 0.1586 0.1586
Brugia malayi Carboxylesterase family protein 0.0167 0.1586 0.1586
Echinococcus granulosus acetylcholinesterase 0.099 1 1
Echinococcus multilocularis acetylcholinesterase 0.099 1 1
Brugia malayi Carboxylesterase family protein 0.0167 0.1586 0.1586
Brugia malayi Carboxylesterase family protein 0.099 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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