Detailed information for compound 932537

Basic information

Technical information
  • TDR Targets ID: 932537
  • Name: 4-[[4-amino-6-[methyl-(2,4,6-trimethylphenyl) amino]-1,3,5-triazin-2-yl]amino]benzonitrile
  • MW: 359.428 | Formula: C20H21N7
  • H donors: 2 H acceptors: 4 LogP: 4.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)Nc1nc(nc(n1)N)N(c1c(C)cc(cc1C)C)C
  • InChi: 1S/C20H21N7/c1-12-9-13(2)17(14(3)10-12)27(4)20-25-18(22)24-19(26-20)23-16-7-5-15(11-21)6-8-16/h5-10H,1-4H3,(H3,22,23,24,25,26)
  • InChiKey: YZFONMVHHPTCCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-amino-6-[methyl-(2,4,6-trimethylphenyl)amino]-s-triazin-2-yl]amino]benzonitrile
  • AIDS-168648
  • AIDS168648
  • Benzonitrile, 4-[[4-amino-6-[methyl(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl]amino]-

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
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Toxoplasma gondii cathepsin B 0.0133535 0.00323914 0.0156449
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0399329 0.121803 0.53209
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0639449 0.228915 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.0307398 0.0807951 0.0807951
Brugia malayi Sodium:neurotransmitter symporter family protein 0.236804 1 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0639449 0.228915 0.228915
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0399329 0.121803 0.53209
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0639449 0.228915 0.228915
Echinococcus multilocularis cathepsin b 0.0307398 0.0807951 0.0807951
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0275643 0.06663 0.321819
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0275643 0.06663 0.06663
Entamoeba histolytica recQ family helicase, putative 0.0399329 0.121803 0.53209
Schistosoma mansoni blooms syndrome DNA helicase 0.0141351 0.00672558 0.00672558
Echinococcus granulosus serotonin transporter 0.236804 1 1
Onchocerca volvulus 0.236804 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0401982 0.122987 0.122987
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0639449 0.228915 0.228915
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0401982 0.122987 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0275643 0.06663 0.06663
Giardia lamblia Sgs1 DNA helicase, putative 0.0275643 0.06663 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0133535 0.00323914 0.01415
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.160412 0.65923 0.65923
Plasmodium falciparum transporter, putative 0.0401982 0.122987 0.276987
Schistosoma mansoni DNA helicase recq5 0.0275643 0.06663 0.06663
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0275643 0.06663 0.06663
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0401982 0.122987 0.122987
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0141351 0.00672558 0.0324841
Brugia malayi hypothetical protein 0.0401982 0.122987 0.122987
Mycobacterium tuberculosis Conserved hypothetical alanine rich protein 0.0126274 0 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0401982 0.122987 0.122987
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Schistosoma mansoni sodium-dependent amino acid transporter 0.0401982 0.122987 0.122987
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0307398 0.0807951 0.0807951
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133535 0.00323914 0.00995836
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0275643 0.06663 0.321819
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0597473 0.210191 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0639449 0.228915 0.228915
Echinococcus granulosus sodium and chloride dependent glycine 0.0401982 0.122987 0.122987
Mycobacterium ulcerans hypothetical protein 0.0126274 0 0.5
Toxoplasma gondii hypothetical protein 0.0401982 0.122987 0.59402
Echinococcus multilocularis serotonin transporter 0.236804 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0133535 0.00323914 0.01415
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.59402
Brugia malayi cathepsin B-like cysteine proteinase 0.0307398 0.0807951 0.0807951
Echinococcus multilocularis sodium and chloride dependent glycine 0.0401982 0.122987 0.122987
Entamoeba histolytica recQ family helicase, putative 0.0134292 0.00357674 0.0156247
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0307398 0.0807951 0.0807951
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0401982 0.122987 0.122987
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0639449 0.228915 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0275643 0.06663 0.06663
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0275643 0.06663 0.06663
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0748637 0.277622 0.277622
Brugia malayi Bloom's syndrome protein homolog 0.0855451 0.325269 0.325269
Schistosoma mansoni sodium/chloride dependent transporter 0.236804 1 1
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.0275643 0.06663 0.06663
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0275643 0.06663 0.06663
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Loa Loa (eye worm) cathepsin B 0.0133535 0.00323914 0.00323914
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0639449 0.228915 1
Plasmodium vivax hypothetical protein, conserved 0.0401982 0.122987 0.585122
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.59402
Echinococcus granulosus cathepsin b 0.0307398 0.0807951 0.0807951
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Echinococcus granulosus sodium and chloride dependent glycine 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.0141351 0.00672558 0.00672558
Echinococcus multilocularis transcription factor Dp 1 0.0367875 0.107773 0.107773
Mycobacterium leprae conserved hypothetical protein 0.0126274 0 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0401982 0.122987 0.122987
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0639449 0.228915 0.228915
Loa Loa (eye worm) hypothetical protein 0.236804 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0401982 0.122987 0.122987
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.59402
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0639449 0.228915 1
Loa Loa (eye worm) hypothetical protein 0.236804 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0590414 0.207042 1
Echinococcus granulosus bloom syndrome protein 0.0855451 0.325269 0.325269
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0401982 0.122987 0.122987
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0307398 0.0807951 0.0807951
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.122987
Plasmodium falciparum amino acid transporter, putative 0.0401982 0.122987 0.276987
Schistosoma mansoni sodium/chloride dependent transporter 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0307398 0.0807951 0.352948
Loa Loa (eye worm) serotonin transporter b 0.236804 1 1
Entamoeba histolytica recQ family DNA helicase 0.0141351 0.00672558 0.0293802
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.236804 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0748637 0.277622 0.277622
Schistosoma mansoni sodium/chloride dependent transporter 0.0402488 0.123213 0.123213
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Echinococcus granulosus cathepsin b 0.0307398 0.0807951 0.0807951
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.122987
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0639449 0.228915 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0275643 0.06663 0.06663
Treponema pallidum sodium- and chloride- dependent transporter 0.236804 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0401982 0.122987 0.122987
Echinococcus granulosus transcription factor Dp 1 0.0367875 0.107773 0.107773
Echinococcus multilocularis sodium and chloride dependent glycine 0.0401982 0.122987 0.122987
Loa Loa (eye worm) hypothetical protein 0.0401982 0.122987 0.122987
Trichomonas vaginalis DNA helicase recq, putative 0.0855451 0.325269 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0141351 0.00672558 0.0293802
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0141351 0.00672558 0.0293802
Echinococcus multilocularis cathepsin b 0.0307398 0.0807951 0.0807951
Loa Loa (eye worm) hypothetical protein 0.236804 1 1
Loa Loa (eye worm) RecQ helicase 0.0855451 0.325269 0.325269
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.0134292 0.00357674 0.0170166
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0731765 0.270095 1
Loa Loa (eye worm) norepinephrine transporter 0.236804 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.07141 0.262215 0.262215
Trypanosoma brucei cysteine peptidase C (CPC) 0.0133535 0.00323914 0.01415
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.122987
Plasmodium vivax amine transporter, putative 0.0401982 0.122987 0.585122
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133535 0.00323914 0.00323914
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0401982 0.122987 0.122987
Loa Loa (eye worm) solute carrier family 6 member 4 0.236804 1 1
Toxoplasma gondii hypothetical protein 0.0401982 0.122987 0.59402
Trichomonas vaginalis DNA helicase recq1, putative 0.0855451 0.325269 1
Trichomonas vaginalis DNA helicase recq, putative 0.0399329 0.121803 0.37447
Echinococcus multilocularis bloom syndrome protein 0.0855451 0.325269 0.325269
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.07204 0.265026 0.265026
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0307398 0.0807951 0.0807951
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0399329 0.121803 0.53209
Schistosoma mansoni DNA helicase recq1 0.0275643 0.06663 0.06663
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0401982 0.122987 0.122987

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.45 uM Antitrypanocidal activity against suramin-sensitive Trypanosoma brucei rhodesiense STIB-900 assessed as reduction in parasite growth after 72 hrs ChEMBL. 25199582
IC50 (functional) = 4.47 uM Antitrypanocidal activity against suramin-sensitive Trypanosoma brucei brucei Squib427 assessed as reduction in parasite growth after 72 hrs ChEMBL. 25199582
IC50 (functional) = 7.45 uM Trypanocidal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahuen CL2 infected in human MRC5 SV2 cells assessed as parasite growth inhibition after 168 hrs by beta-galactosidase assay ChEMBL. 25199582
IC50 (functional) = 9.79 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human O positive erythrocyte assessed as reduction in parasitemia after 72 hrs ChEMBL. 25199582
IC50 (functional) = 10.08 uM Antileishmanial activity against Leishmania infantum MHOM/MA (BE)/67 infected in primary peritoneal mouse macrophages assessed as reduction in parasite burdun ChEMBL. 25199582

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 25199582
Leishmania infantum ChEMBL23 25199582
Trypanosoma brucei gambiense 25199582
Trypanosoma cruzi ChEMBL23 25199582

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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