Detailed information for compound 330025

Basic information

Technical information
  • TDR Targets ID: 330025
  • Name: quinazolin-2-amine
  • MW: 145.161 | Formula: C8H7N3
  • H donors: 1 H acceptors: 2 LogP: 1.19 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc2c(n1)cccc2
  • InChi: 1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
  • InChiKey: CZAAKPFIWJXPQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-quinazolinamine
  • quinazolin-2-ylamine
  • Quinazoline, 2-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
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0759 0.6355 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0358 0.1828 0.2877
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0358 0.1828 0.1426
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0759 0.6355 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0759 0.6355 1
Onchocerca volvulus 0.0358 0.1828 0.1561
Loa Loa (eye worm) hypothetical protein 0.0401 0.2313 0.3267
Brugia malayi Steroid receptor seven-up type 2 0.0759 0.6355 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0759 0.6355 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0358 0.1828 0.1426
Schistosoma mansoni zinc finger protein 0.0358 0.1828 0.1426
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0759 0.6355 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1082 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0358 0.1828 0.1426
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0759 0.6355 1
Onchocerca volvulus Bile acid receptor homolog 0.0759 0.6355 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0759 0.6355 1
Brugia malayi steroid hormone receptor 0.0759 0.6355 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.0602 0.0417
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor-like 1 0.0759 0.6355 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0358 0.1828 0.2459
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.2806 0.5
Loa Loa (eye worm) hypothetical protein 0.0401 0.2313 0.3267
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0401 0.2313 0.2344
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.2313 0.3267
Schistosoma mansoni thyroid hormone receptor 0.0759 0.6355 1
Schistosoma mansoni nuclear hormone receptor 0.0358 0.1828 0.1426
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Brugia malayi hypothetical protein 0.0358 0.1828 0.2131
Brugia malayi nuclear receptor NHR-67 0.0358 0.1828 0.2131
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0759 0.6355 1
Brugia malayi ecdysteroid receptor 0.0759 0.6355 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0759 0.6355 1
Brugia malayi nuclear receptor RXR 0.0401 0.2313 0.2974
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0759 0.6355 1
Brugia malayi ecdysone receptor 0.0358 0.1828 0.2131
Echinococcus multilocularis thyroid hormone receptor alpha 0.0759 0.6355 1
Onchocerca volvulus 0.0759 0.6355 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0358 0.1828 0.2131
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Echinococcus granulosus FTZ F1 alpha 0.0759 0.6355 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0759 0.6355 1
Schistosoma mansoni nuclear receptor 0.0358 0.1828 0.1426
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0759 0.6355 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0759 0.6355 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0378 0.205 0.3226
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0759 0.6355 1
Loa Loa (eye worm) nuclear hormone receptor 0.0358 0.1828 0.2459
Brugia malayi nuclear receptor NHR-88 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0759 0.6355 1
Onchocerca volvulus 0.0358 0.1828 0.1561
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0759 0.6355 1
Schistosoma mansoni RAR-like nuclear receptor 0.0759 0.6355 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0759 0.6355 1
Brugia malayi orphan nuclear receptor NR2E1 0.0358 0.1828 0.2131
Loa Loa (eye worm) hypothetical protein 0.0401 0.2313 0.3267
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0358 0.1828 0.2877
Schistosoma mansoni thyroid hormone receptor 0.0759 0.6355 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0759 0.6355 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0358 0.1828 0.2877
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0358 0.1828 0.2131
Brugia malayi nuclear hormone receptor 0.0759 0.6355 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0401 0.2313 0.2344
Brugia malayi hypothetical protein 0.0358 0.1828 0.2131
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0759 0.6355 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0759 0.6355 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0759 0.6355 1
Echinococcus granulosus nuclear receptor nhr 48 0.0358 0.1828 0.2877
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0358 0.1828 0.2877
Echinococcus granulosus ecdysone induced protein 78C 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Brugia malayi nuclear receptor RXR 0.0358 0.1828 0.2131
Echinococcus granulosus Nuclear hormone receptor HR96 0.0358 0.1828 0.2877
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0759 0.6355 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor E75 0.0358 0.1828 0.2131
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0759 0.6355 1
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.2806 0.5
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Brugia malayi photoreceptor-specific nuclear receptor 0.0759 0.6355 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0358 0.1828 0.1561
Brugia malayi Nuclear hormone receptor-like 1 0.0401 0.2313 0.2974
Schistosoma mansoni nuclear hormone receptor 0.0759 0.6355 1
Echinococcus multilocularis FTZ F1 alpha 0.0759 0.6355 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0358 0.1828 0.2877
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0401 0.2313 0.3267
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.2806 0.3831
Onchocerca volvulus Protein ultraspiracle homolog 0.0759 0.6355 1
Schistosoma mansoni nuclear receptor nhr-48 0.0358 0.1828 0.1426
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0759 0.6355 1
Brugia malayi nuclear hormone receptor 0.0358 0.1828 0.2131
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0378 0.205 0.3226
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0759 0.6355 1
Schistosoma mansoni nuclear receptor 0.0358 0.1828 0.1426
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Brugia malayi hypothetical protein 0.0401 0.2313 0.2974
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0358 0.1828 0.2877
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Loa Loa (eye worm) DR-78 0.0358 0.1828 0.2459
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0759 0.6355 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0358 0.1828 0.2459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0358 0.1828 0.2877
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0759 0.6355 1
Brugia malayi conserved hypotetical protein 0.0358 0.1828 0.2131
Echinococcus granulosus Nuclear hormone receptor HR96 0.0358 0.1828 0.2877
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0759 0.6355 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0759 0.6355 1
Schistosoma mansoni coup transcription factor 0.0759 0.6355 1
Brugia malayi Nuclear hormone receptor-like 1 0.0401 0.2313 0.2974
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.2806 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0759 0.6355 1
Brugia malayi hypothetical protein 0.0401 0.2313 0.2974
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0358 0.1828 0.2131
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Loa Loa (eye worm) hypothetical protein 0.0401 0.2313 0.3267
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus granulosus thyroid hormone receptor alpha 0.0358 0.1828 0.2877
Brugia malayi Nuclear hormone receptor E75 0.0358 0.1828 0.2131
Echinococcus multilocularis nuclear receptor nhr 48 0.0358 0.1828 0.2877
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0759 0.6355 1
Brugia malayi nuclear receptor NHR-88 0.0358 0.1828 0.2131
Trichomonas vaginalis set domain proteins, putative 0.0284 0.0991 0.5
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0401 0.2313 0.3639
Brugia malayi tailless protein 0.0358 0.1828 0.2131
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0358 0.1828 0.1561
Schistosoma mansoni glutamate receptor NMDA 0.0378 0.205 0.1847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.1828 0.2459
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0401 0.2313 0.3639
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0759 0.6355 1
Loa Loa (eye worm) steroid hormone receptor 0.0759 0.6355 1
Loa Loa (eye worm) hypothetical protein 0.0445 0.2806 0.4088
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1006 0.914 1
Schistosoma mansoni retinoic acid receptor RXR 0.0759 0.6355 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis ChEMBL. 23664164
IC50 (binding) > 100 uM Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis ChEMBL. 23664164
Kd (binding) = 800 uM Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization ChEMBL. 15481978
Kd (binding) = 800 uM Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization ChEMBL. 15481978
pKa (binding) = 4.82 Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization ChEMBL. 15481978

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.

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