Detailed information for compound 1418337

Basic information

Technical information
  • TDR Targets ID: 1418337
  • Name: ChemDiv2_001842
  • MW: 309.366 | Formula: C17H19N5O
  • H donors: 3 H acceptors: 2 LogP: 3.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNc1ccc(cc1)CNc1n[nH]cn1
  • InChi: 1S/C17H19N5O/c1-23-16-5-3-2-4-14(16)11-18-15-8-6-13(7-9-15)10-19-17-20-12-21-22-17/h2-9,12,18H,10-11H2,1H3,(H2,19,20,21,22)
  • InChiKey: QMRCYWDDPWMVEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC00386357
  • MLS000624638
  • N-{4-[(2-methoxybenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
  • SMR000295262

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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0542 0.1656
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0447
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0146 0.0447
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0447
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0542 0.1656
Onchocerca volvulus 0.001 0.0202 0.0202
Treponema pallidum DNA ligase (lig) 0.001 0.0202 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.3273 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0542 0.0542
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0202 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0202 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3273 0.3273
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0146 0.0146
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0542 0.1656
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0202 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0146 0.0146
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0202 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2498 0.2498
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0202 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0542 0.1656
Chlamydia trachomatis DNA ligase 0.001 0.0202 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0447
Onchocerca volvulus 0.0009 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0049 0.2498 0.2498
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0202 0.0616
Echinococcus granulosus GPCR family 2 0.0016 0.0542 0.1656
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0146 0.0447
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0202 1
Brugia malayi hypothetical protein 0.001 0.0202 0.0202
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0146 0.0447
Brugia malayi DKFZp564C0469 protein 0.001 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.1656
Brugia malayi RNA binding protein 0.0063 0.3273 0.3273
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0447
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0202 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0202 1
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0202 0.5
Giardia lamblia Replication factor C, subunit 1 0.001 0.0202 0.5
Brugia malayi DIX domain containing protein 0.0009 0.0146 0.0146
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0202 1
Brugia malayi TAR-binding protein 0.0063 0.3273 0.3273
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0447
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2498 0.2498
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0202 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0202 0.5
Echinococcus multilocularis nibrin 0.001 0.0202 0.0616
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3273 0.3273
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2498 0.2498
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.1656
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.1656
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0202 1
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0146 0.0146
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0202 0.0202
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0447
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0202 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0202 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.3273 0.3273
Schistosoma mansoni DNA ligase IV 0.001 0.0202 0.0616
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0542 0.0542
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1593 0.1593
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0146 0.0447
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0146 0.0447
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0447
Schistosoma mansoni hypothetical protein 0.0034 0.1593 0.4866
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0202 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0447
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.1656
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0447
Schistosoma mansoni dep domain containing protein 0.0009 0.0146 0.0447
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0202 0.5
Echinococcus granulosus nibrin 0.001 0.0202 0.0616
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0202 1
Schistosoma mansoni topbp1 0.001 0.0202 0.0616
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3273 1
Brugia malayi topoisomerase 0.001 0.0202 0.0202
Echinococcus granulosus replication factor c subunit 1 0.001 0.0202 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1593 0.1593
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0202 1
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0202 0.5
Schistosoma mansoni topbp1 0.001 0.0202 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3273 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0447
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0146 0.0146
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0016 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0202
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0202 0.0202
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Entamoeba histolytica hypothetical protein 0.001 0.0202 1
Brugia malayi hypothetical protein 0.001 0.0202 0.0202
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3273 0.3273
Echinococcus multilocularis GPCR, family 2 0.0016 0.0542 0.1656

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.