Detailed information for compound 304161

Basic information

Technical information
  • TDR Targets ID: 304161
  • Name: 2-phenyl-1,2-dihydroquinazolin-4-amine
  • MW: 223.273 | Formula: C14H13N3
  • H donors: 2 H acceptors: 0 LogP: 2.26 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(Nc2c1cccc2)c1ccccc1
  • InChi: 1S/C14H13N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9,14,16H,(H2,15,17)
  • InChiKey: VRHGJUOMOHIJKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-phenyl-1,2-dihydroquinazolin-4-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL 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
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0085 0.119 0.1201
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.062 0.9905 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.062 0.9905 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0085 0.119 0.119
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0325 0.0328
Leishmania major p450 reductase, putative 0.0032 0.0325 0.0328
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.062 0.9905 1
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0085 0.119 0.1201
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0626 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0085 0.119 0.1201
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0325 0.0328
Echinococcus multilocularis fk506 binding protein 0.062 0.9905 0.9904
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0325 0.0204
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0085 0.119 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0325 0.0204
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0325 0.0328
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.062 0.9905 1
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0325 0.0267
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.062 0.9905 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0085 0.119 1
Mycobacterium ulcerans hypothetical protein 0.0085 0.119 0.0903
Schistosoma mansoni fk506 binding protein 0.0085 0.119 0.1137
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.062 0.9905 0.9904
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.119 0.1201
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0032 0.0325 0.0328
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.062 0.9905 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.8524 0.8605
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.062 0.9905 1
Leishmania major peptidylprolyl isomerase-like protein 0.062 0.9905 1
Plasmodium vivax flavodoxin domain containing protein 0.0029 0.0265 0.0268
Trichomonas vaginalis immunophilin, putative 0.062 0.9905 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0085 0.119 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0085 0.119 0.12
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0032 0.0325 0.0328
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.002 0.0124 0.0064
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.062 0.9905 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.062 0.9905 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0325 0.0328
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0325 0.0328
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.119 0.1201
Loa Loa (eye worm) FAD binding domain-containing protein 0.002 0.0124 0.0125
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0085 0.119 0.1201
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.062 0.9905 0.9905
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0032 0.0325 0.0328
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0029 0.0265 0.0268
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0085 0.119 0.1201
Echinococcus granulosus FK506 binding protein 2 0.0085 0.119 0.1079
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0085 0.119 0.1079
Schistosoma mansoni immunophilin 0.0626 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.062 0.9905 1
Brugia malayi FAD binding domain containing protein 0.0032 0.0325 0.0328
Plasmodium falciparum nitric oxide synthase, putative 0.0032 0.0325 0.0328
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0325 0.0204
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0626 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.119 0.0959
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0091 0.1284 0.1175
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.119 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.119 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0016 0.0064 0.0004
Trichomonas vaginalis fk506-binding protein, putative 0.0085 0.119 0.1201
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0325 0.0328
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.054 0.8609 0.8592
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.062 0.9914 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0325 0.0204
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0325 0.0328
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.062 0.9905 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0085 0.119 0.1201
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0085 0.119 0.5
Echinococcus multilocularis 0.0085 0.119 0.1079
Schistosoma mansoni immunophilin 0.0626 1 1
Trichomonas vaginalis fk506 binding protein, putative 0.0085 0.119 0.1201
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.119 0.0959
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0325 0.0328
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0085 0.119 0.12
Trypanosoma cruzi p450 reductase, putative 0.0032 0.0325 0.0328
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.062 0.9905 1
Leishmania major fk506-binding protein 1-like protein 0.062 0.9905 1
Trichomonas vaginalis fk506-binding protein, putative 0.0085 0.119 0.1201
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0085 0.119 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0085 0.119 0.0959
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0085 0.119 0.5
Brugia malayi flavodoxin family protein 0.0032 0.0325 0.0328
Schistosoma mansoni immunophilin 0.054 0.8609 0.8601
Onchocerca volvulus 0.0086 0.1198 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0325 0.0328
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Brugia malayi FAD binding domain containing protein 0.002 0.0124 0.0125
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.062 0.9905 0.9991
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.119
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.062 0.9905 1
Loa Loa (eye worm) FKBP5 protein 0.062 0.9905 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.119 0.1201
Trichomonas vaginalis fk506-binding protein, putative 0.062 0.9905 1
Giardia lamblia Hypothetical protein 0.0085 0.119 0.0959
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0626 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.062 0.9905 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0085 0.119 0.1201
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0085 0.119 0.1201
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.054 0.8609 0.8592
Schistosoma mansoni hypothetical protein 0.0085 0.119 0.1137
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.062 0.9905 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0085 0.119 0.12
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0085 0.119 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0085 0.119 0.1201
Leishmania major cytochrome P450 reductase, putative 0.0029 0.0265 0.0268

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibitory activity of compound against human inducible nitiric oxide synthase ChEMBL. 12620067
IC50 (binding) = 2.5 uM Inhibition of iNOS (unknown origin) ChEMBL. 18357974
IC50 (binding) = 2.5 uM Inhibitory activity of compound against human inducible nitiric oxide synthase ChEMBL. 12620067
IC50 (binding) = 2.5 uM Inhibition of iNOS (unknown origin) ChEMBL. 18357974

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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