Detailed information for compound 303349

Basic information

Technical information
  • TDR Targets ID: 303349
  • Name: 2-cyclopentyl-1,2-dihydroquinazolin-4-amine
  • MW: 215.294 | Formula: C13H17N3
  • H donors: 2 H acceptors: 0 LogP: 2.43 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(Nc2c1cccc2)C1CCCC1
  • InChi: 1S/C13H17N3/c14-12-10-7-3-4-8-11(10)15-13(16-12)9-5-1-2-6-9/h3-4,7-9,13,15H,1-2,5-6H2,(H2,14,16)
  • InChiKey: CODFUQOUEHCCNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-cyclopentyl-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
Leishmania major hypothetical protein, conserved 0.0301 0.0158 1
Mycobacterium ulcerans esterase LipO 0.0301 0.0158 1
Trichomonas vaginalis Esterase, putative 0.0301 0.0158 1
Mycobacterium ulcerans lipase LipU 0.0301 0.0158 1
Mycobacterium leprae Possible lipase LipU 0.0301 0.0158 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 1.7756 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0074 0.0031 0.0031
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.7756 1 1
Echinococcus granulosus carboxylesterase 5A 0.0074 0.0031 0.0031
Trichomonas vaginalis Esterase, putative 0.0301 0.0158 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0007 0.0007
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0301 0.0158 1
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0301 0.0158 1
Mycobacterium ulcerans esterase LipC 0.0301 0.0158 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.7756 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0301 0.0158 1
Brugia malayi FAD binding domain containing protein 0.0032 0.0007 0.044
Echinococcus granulosus acetylcholinesterase 0.0074 0.0031 0.0031
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0031 0.0031
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0301 0.0158 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0301 0.0158 1
Echinococcus multilocularis hormone sensitive lipase 1.7756 1 1
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0301 0.0158 0.5
Chlamydia trachomatis sulfite reductase 0.002 0 0.5
Mycobacterium ulcerans lipase LipI 0.0301 0.0158 1
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0301 0.0158 0.5
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0301 0.0158 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.0005 0.5
Mycobacterium tuberculosis Possible esterase LipW 0.0301 0.0158 0.5
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0301 0.0158 0.5
Mycobacterium ulcerans esterase LipW 0.0301 0.0158 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0007 0.0007
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0301 0.0158 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0007 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0031 0.0031
Leishmania major ecotin, putative 0.0301 0.0158 1
Brugia malayi Carboxylesterase family protein 0.0074 0.0031 0.1941
Trichomonas vaginalis Esterase, putative 0.0301 0.0158 1
Mycobacterium ulcerans esterase/lipase 0.0301 0.0158 1
Brugia malayi Carboxylesterase family protein 0.0074 0.0031 0.1941
Mycobacterium ulcerans membrane-bound esterase LipM 0.0301 0.0158 1
Mycobacterium tuberculosis Probable lipase LipH 0.0301 0.0158 0.5
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0031 0.0031
Loa Loa (eye worm) carboxylesterase 0.0074 0.0031 0.0031
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0007 0.0007
Loa Loa (eye worm) ammd protein 0.0301 0.0158 0.0158
Plasmodium falciparum nitric oxide synthase, putative 0.0032 0.0007 0.5
Loa Loa (eye worm) aryl-acylamidase 0.0301 0.0158 0.0158
Mycobacterium ulcerans hypothetical protein 0.0301 0.0158 1
Giardia lamblia Hypothetical protein 0.0029 0.0005 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0301 0.0158 1
Mycobacterium tuberculosis Probable esterase LipM 0.0301 0.0158 0.5
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0301 0.0158 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0032 0.0007 0.0007
Mycobacterium tuberculosis Probable esterase LipO 0.0301 0.0158 0.5
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0301 0.0158 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.7756 1 1
Echinococcus granulosus acetylcholinesterase 0.0074 0.0031 0.0031
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0301 0.0158 1
Mycobacterium tuberculosis Possible lipase LipU 0.0301 0.0158 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0301 0.0158 1
Leishmania major p450 reductase, putative 0.0032 0.0007 0.0135
Mycobacterium ulcerans lipase LipH 0.0301 0.0158 1
Brugia malayi aryl-acylamidase 0.0301 0.0158 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0074 0.0031 0.0031
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0007 0.0135
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0007 0.0007
Mycobacterium tuberculosis Probable esterase LipC 0.0301 0.0158 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0301 0.0158 1
Onchocerca volvulus 0.0301 0.0158 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0074 0.0031 0.0031
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0301 0.0158 0.0158
Mycobacterium ulcerans lipase/esterase LipN 0.0301 0.0158 1
Mycobacterium ulcerans lipase LipU 0.0301 0.0158 1
Brugia malayi flavodoxin family protein 0.0032 0.0007 0.044
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0301 0.0158 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0007 0.0135

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.5 uM Inhibitory activity of compound against human inducible nitiric oxide synthase ChEMBL. 12620067
IC50 (binding) = 4.5 uM Inhibitory activity of compound against human inducible nitiric oxide synthase ChEMBL. 12620067

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

1 literature reference was collected for this gene.

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