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

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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