Detailed information for compound 1317069

Basic information

Technical information
  • TDR Targets ID: 1317069
  • Name: [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-m ethylamino]urea
  • MW: 268.624 | Formula: C8H8ClF3N4O
  • H donors: 2 H acceptors: 2 LogP: 1.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)NN(c1ncc(cc1Cl)C(F)(F)F)C
  • InChi: 1S/C8H8ClF3N4O/c1-16(15-7(13)17)6-5(9)2-4(3-14-6)8(10,11)12/h2-3H,1H3,(H3,13,15,17)
  • InChiKey: VHMMJFMKICGPDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]urea
  • [[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methylamino]urea
  • [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]urea
  • MLS000546420
  • SMR000169590
  • ZINC01405098
  • 11H-935
  • 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1-hydrazinecarboxamide

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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0089 0.2626 0.2626
Echinococcus multilocularis ATP binding cassette sub family B 0.0089 0.2637 0.2637
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0276 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.2515 0.2515
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Trichomonas vaginalis abcb9, putative 0.0276 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0276 1 1
Echinococcus granulosus multidrug resistance protein 1 0.019 0.6622 0.6622
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0276 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0086 0.2515 0.2515
Giardia lamblia MRP-like ABC transporter 0.0101 0.3123 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0089 0.2626 0.2626
Brugia malayi ABC transporter family protein 0.0089 0.2637 0.2637
Echinococcus granulosus multidrug resistance protein 1 0.0276 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0276 1 1
Leishmania major p-glycoprotein e 0.0101 0.3123 0.0661
Onchocerca volvulus 0.0276 1 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0101 0.3123 0.0661
Brugia malayi ABC transporter transmembrane region family protein 0.0089 0.2637 0.2637
Schistosoma mansoni multidrug resistance protein 0.0101 0.3123 0.3123
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Echinococcus multilocularis sodium channel protein 0.009 0.2682 0.2682
Brugia malayi P-glycoprotein-like protein 0.0089 0.2637 0.2637
Loa Loa (eye worm) multidrug resistance protein 3 0.0276 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0101 0.3123 0.3123
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0089 0.2626 0.2626
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0276 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0101 0.3123 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Loa Loa (eye worm) ABC transporter 0.0089 0.2637 0.2637
Trichomonas vaginalis abcb9, putative 0.0276 1 1
Schistosoma mansoni multidrug resistance protein 0.0276 1 1
Trichomonas vaginalis ABC transporter, putative 0.0276 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0089 0.2637 0.2637
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0191 0.6637 0.6637
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.003 0.0301 0.0301
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0276 1 1
Trichomonas vaginalis ABC transporter, putative 0.0276 1 1
Toxoplasma gondii hypothetical protein 0.0191 0.6637 0.5433
Giardia lamblia Multidrug resistance-associated protein 1 0.0101 0.3123 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0101 0.3123 0.3123
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0276 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0276 1 1
Leishmania major pentamidine resistance protein 1 0.0101 0.3123 0.0661
Schistosoma mansoni multidrug resistance protein 0.0089 0.2637 0.2637
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0086 0.2515 0.2515
Trypanosoma cruzi multidrug resistance protein E, putative 0.0101 0.3123 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0078 0.2195 0.2195
Brugia malayi hypothetical protein 0.0089 0.2637 0.2637
Echinococcus granulosus ATP binding cassette sub family B 0.0086 0.2515 0.2515
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0101 0.3123 1
Echinococcus multilocularis multidrug resistance protein 1 0.019 0.6622 0.6622
Entamoeba histolytica P-glyco protein 6, putative 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0276 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0101 0.3123 0.3123
Entamoeba histolytica P-glycoprotein-5 0.0276 1 1
Echinococcus granulosus voltage gated potassium channel 0.003 0.0301 0.0301
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0276 1 1
Schistosoma mansoni smdr1 0.0089 0.2637 0.2637
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Schistosoma mansoni smdr2 0.0276 1 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0273 0.9878 0.9878
Echinococcus multilocularis ATP binding cassette sub family B 0.0273 0.9878 0.9878
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0276 1 1
Trypanosoma brucei multidrug resistance protein E 0.0101 0.3123 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.019 0.6622 0.6622
Schistosoma mansoni multidrug resistance protein 0.0101 0.3123 0.3123
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0089 0.2637 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0089 0.2637 0.2637
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0276 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0276 1 1
Entamoeba histolytica P-glycoprotein-2 0.0276 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0089 0.2626 0.2626
Schistosoma mansoni multidrug resistance protein 0.0086 0.2515 0.2515
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0101 0.3123 0.0661
Trichomonas vaginalis ABC transporter, putative 0.0276 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0101 0.3123 0.0813
Schistosoma mansoni multidrug resistance protein 0.0276 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0276 1 1
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0301 0.0301
Brugia malayi ABC transporter family protein 0.0276 1 1
Loa Loa (eye worm) ABC transporter 0.0089 0.2637 0.2637
Echinococcus granulosus ATP binding cassette sub family B 0.0089 0.2637 0.2637
Schistosoma mansoni voltage-gated potassium channel 0.0096 0.2927 0.2927
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0101 0.3123 0.0661
Entamoeba histolytica P-glycoprotein-2, putative 0.0276 1 1
Brugia malayi ABC transporter family protein 0.0089 0.2637 0.2637
Echinococcus granulosus multidrug resistance protein 1 0.019 0.6622 0.6622
Loa Loa (eye worm) hypothetical protein 0.003 0.0301 0.0301
Entamoeba histolytica ATP-binding cassette protein, putative 0.0101 0.3123 0.0813
Echinococcus granulosus ATP binding cassette sub family B 0.0089 0.2637 0.2637
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0089 0.2637 0.5
Schistosoma mansoni multidrug resistance protein 0.0276 1 1
Plasmodium falciparum multidrug resistance protein 1 0.0276 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0089 0.2637 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.003 0.0301 0.0301
Schistosoma mansoni multidrug resistance protein 0.0101 0.3123 0.3123
Loa Loa (eye worm) hypothetical protein 0.0191 0.6637 0.6637
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0089 0.2637 0.5
Echinococcus multilocularis voltage gated potassium channel 0.003 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.0101 0.3123 0.3123
Trichomonas vaginalis abcb9, putative 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.6637 0.6637
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0276 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0276 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0078 0.2195 0.2195
Echinococcus granulosus sodium channel protein 0.009 0.2682 0.2682
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0276 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0101 0.3123 0.0813
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.2515 0.2515
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0089 0.2637 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0096 0.2927 0.2927
Loa Loa (eye worm) hypothetical protein 0.0089 0.2637 0.2637
Loa Loa (eye worm) hypothetical protein 0.0086 0.2515 0.2515
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.009 0.2682 0.2682
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0276 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0089 0.2637 0.0163
Trichomonas vaginalis taga, putative 0.0276 1 1
Entamoeba histolytica ABC transporter, putative 0.0101 0.3123 0.0813
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0089 0.2637 0.2637
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0276 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0089 0.2637 0.5
Entamoeba histolytica hypothetical protein 0.0101 0.3123 0.0813
Loa Loa (eye worm) hypothetical protein 0.0276 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0086 0.2515 0.2515
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0276 1 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0276 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Loa Loa (eye worm) ABC transporter 0.0089 0.2637 0.2637
Giardia lamblia Multidrug resistance-associated protein 1 0.0098 0.3001 0.7995
Echinococcus granulosus multidrug resistance protein 1 0.0276 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2194 0.2194
Brugia malayi ABC transporter family protein 0.0089 0.2637 0.2637
Entamoeba histolytica P-glycoprotein 5, putative 0.0276 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0276 1 1
Brugia malayi ABC transporter 0.0086 0.2515 0.2515
Loa Loa (eye worm) hypothetical protein 0.0101 0.3123 0.3123
Brugia malayi multidrug resistance related protein 1 0.0101 0.3123 0.3123
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0101 0.3123 0.0661
Echinococcus multilocularis multidrug resistance associated protein 1 0.0101 0.3123 0.3123
Loa Loa (eye worm) hypothetical protein 0.0273 0.9878 0.9878
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0276 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0101 0.3123 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.009 0.2682 0.0062
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0089 0.2637 0.5
Entamoeba histolytica P-glycoprotein-2 0.0276 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0101 0.3123 0.0661
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0089 0.2637 0.5
Leishmania major p-glycoprotein 0.0276 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0276 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0276 1 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0089 0.2637 0.2637
Echinococcus multilocularis ATP binding cassette sub family B 0.0089 0.2637 0.2637
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0276 1 1
Trichomonas vaginalis ABC transporter, putative 0.0276 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0276 1 1
Entamoeba histolytica P-glycoprotein-1 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.6637 0.6637
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0101 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.3001 0.3001
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0276 1 1
Schistosoma mansoni multidrug resistance protein 0.0101 0.3123 0.3123
Echinococcus multilocularis 0.0089 0.2637 0.2637
Brugia malayi ABC transporter transmembrane region family protein 0.0101 0.3123 0.3123
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.003 0.0301 0.0301
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0089 0.2637 0.0163
Giardia lamblia ABC transporter, putative 0.0101 0.3123 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0086 0.2515 0.2515
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0089 0.2637 0.5
Echinococcus multilocularis ATP binding cassette sub family B 0.0089 0.2637 0.2637
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0301 0.0301
Leishmania major ABC-thiol transporter 0.0101 0.3123 0.0661
Entamoeba histolytica ATP-binding cassette protein, putative 0.0101 0.3123 0.0813
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0276 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0101 0.3123 0.3123
Entamoeba histolytica ATP-binding cassette protein, putative 0.0101 0.3123 0.0813
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0101 0.3123 1
Trypanosoma brucei p-glycoprotein 0.0101 0.3123 1
Brugia malayi ABC transporter 0.0089 0.2637 0.2637

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 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

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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