Detailed information for compound 151078

Basic information

Technical information
  • TDR Targets ID: 151078
  • Name: 4-N-[3-(trifluoromethyl)phenyl]quinazoline-4, 6-diamine
  • MW: 304.27 | Formula: C15H11F3N4
  • H donors: 2 H acceptors: 2 LogP: 3.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-7-10(19)4-5-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,22)
  • InChiKey: DLVMGJPGJHCIJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N4-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
  • (6-aminoquinazolin-4-yl)-[3-(trifluoromethyl)phenyl]amine
  • N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
  • PD153035 Analog 10

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
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
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Schistosoma mansoni tyrosine kinase 0.0097 0.1284 0.1284
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0217 0.0226
Trypanosoma cruzi acetyl-CoA carboxylase 0.0225 0.5473 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni neurotransmitter gated ion channel 0.0064 0.0217 0.0217
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Loa Loa (eye worm) ACC-1 protein 0.0119 0.2015 0.2103
Onchocerca volvulus 0.0119 0.2015 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0119 0.2015 0.2015
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0363 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.035 0.9584 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Onchocerca volvulus 0.0119 0.2015 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0119 0.2015 0.2015
Chlamydia trachomatis biotin carboxylase 0.0126 0.2226 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0138 0.2643 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0119 0.2015 0.2103
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Echinococcus multilocularis nAChR subunit 0.0064 0.0217 0.0217
Schistosoma mansoni tyrosine kinase 0.018 0.4012 0.4012
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Schistosoma mansoni tyrosine kinase 0.0096 0.125 0.125
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0119 0.2015 0.2103
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0119 0.2015 0.2015
Brugia malayi excitatory GABA receptor EXP-1A 0.0119 0.2015 0.2103
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0064 0.0217 0.0217
Echinococcus granulosus glycine receptor subunit beta 0.0119 0.2015 0.2015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0138 0.2643 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0138 0.2643 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0119 0.2015 0.2103
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0119 0.2015 0.2015
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0119 0.2015 0.2015
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0217 0.0226
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0119 0.2015 0.2103
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0119 0.2015 0.2015
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.1284 0.1284
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0119 0.2015 0.2015
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0363 1 1
Entamoeba histolytica hypothetical protein 0.0064 0.0217 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0119 0.2015 0.2015
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0138 0.2643 0.1741
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0138 0.2643 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0119 0.2015 0.2015
Onchocerca volvulus 0.0119 0.2015 1
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Schistosoma mansoni tyrosine kinase 0.0097 0.1284 0.1284
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Brugia malayi Carboxyl transferase domain containing protein 0.035 0.9584 1
Onchocerca volvulus 0.0119 0.2015 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0138 0.2643 0.2643
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0119 0.2015 0.2103
Echinococcus multilocularis glycine receptor subunit beta 0.0119 0.2015 0.2015
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0138 0.2643 0.1741
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0119 0.2015 0.2103
Echinococcus granulosus nAChR subunit 0.0064 0.0217 0.0217
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.2015 0.2103
Onchocerca volvulus 0.0119 0.2015 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Echinococcus granulosus epidermal growth factor receptor 0.018 0.4012 0.4012
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) ACC-1 protein 0.0119 0.2015 0.2103
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Onchocerca volvulus Putative nachr subunit 0.0119 0.2015 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) LGC-31 protein 0.0119 0.2015 0.2103
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0263 0.6716 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0138 0.2643 0.5
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0138 0.2643 0.2643
Echinococcus multilocularis glycine receptor subunit beta 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni tyrosine kinase 0.0096 0.125 0.125
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0119 0.2015 0.2015
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0119 0.2015 0.2015
Echinococcus granulosus nAChR subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0138 0.2643 0.5
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0062 0.0143 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Leishmania major acetyl-CoA carboxylase, putative 0.0363 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Brugia malayi Cation transporter family protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.4012 0.4186
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) hypothetical protein 0.0119 0.2015 0.2103
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.2015 0.2015
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.4012 0.4186
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0263 0.6716 0.5
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0119 0.2015 0.2103
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0119 0.2015 0.2015
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.1284 0.1284
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0064 0.0217 0.0226
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0119 0.2015 0.2015
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.1284 0.1284
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0138 0.2643 0.2643
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0119 0.2015 0.2103
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0119 0.2015 0.2015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.2015 0.2103
Schistosoma mansoni acetyl-CoA carboxylase 0.0363 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0119 0.2015 0.2015
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0119 0.2015 0.2103
Onchocerca volvulus 0.0119 0.2015 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0363 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0119 0.2015 0.2015
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Brugia malayi Cation transporter family protein 0.0119 0.2015 0.2103
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0363 1 1
Echinococcus multilocularis nAChR subunit 0.0119 0.2015 0.2015
Mycobacterium ulcerans pyruvate carboxylase 0.0138 0.2643 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0217 0.0226
Schistosoma mansoni nAChR subunit 0.0119 0.2015 0.2015
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.0217 0.0217
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0119 0.2015 0.2103
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0138 0.2643 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.125 0.125
Brugia malayi Cation transporter family protein 0.0119 0.2015 0.2103
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0119 0.2015 0.2103
Loa Loa (eye worm) GABA receptor subunit 0.0064 0.0217 0.0226
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.4012 0.4012
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0119 0.2015 0.2103
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0119 0.2015 0.2103
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0064 0.0217 0.0226
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0138 0.2643 0.2643
Schistosoma mansoni pyruvate carboxylase 0.0138 0.2643 0.2643

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.24 Inhibition of EGFR (unknown origin) ChEMBL. 18271520
IC50 (binding) = 574 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816
IC50 (binding) = 574 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816
Log IC50 (binding) = 6.24 Inhibition of EGFR (unknown origin) ChEMBL. 18271520

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

2 literature references were collected for this gene.

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