Detailed information for compound 177703

Basic information

Technical information
  • TDR Targets ID: 177703
  • Name: (1R,2S,6S,7R)-7-chloro-2-methyl-5-azabicyclo[ 4.1.0]hept-4-en-4-amine
  • MW: 158.629 | Formula: C7H11ClN2
  • H donors: 1 H acceptors: 0 LogP: 0.27 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CC(=N[C@H]2[C@@H]1[C@H]2Cl)N
  • InChi: 1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/m0/s1
  • InChiKey: SEVICIFJHBFRBO-OIADKPKDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(1R,2S,6S,7R)-7-chloro-2-methyl-5-azabicyclo[4.1.0]hept-4-en-4-yl]amine
  • 7-chloro-3-imino-5-methyl-2-azabicyclo(4.1.0)heptane

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus nitric oxide synthase 1, neuronal Starlite/ChEMBL References
Mus musculus 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) FAD binding domain-containing protein 0.0156 0.0169 0.0667
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0047 0.0035 0.0035
Trichomonas vaginalis ran, putative 0.0047 0.0035 0.0742
Loa Loa (eye worm) flavodoxin family protein 0.006 0.0051 0.0202
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.2091 0.2536 1
Echinococcus granulosus snurportin 1 0.0675 0.0803 0.0803
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.006 0.0051 0.3033
Loa Loa (eye worm) hypothetical protein 0.0168 0.0184 0.0727
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.003 0.0866
Trichomonas vaginalis NADPH cytochrome P450, putative 0.006 0.0051 0.1854
Entamoeba histolytica type A flavoprotein, putative 0.006 0.0051 1
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.2091 0.2536 0.2536
Toxoplasma gondii flavodoxin domain-containing protein 0.0077 0.0073 0.0288
Loa Loa (eye worm) hypothetical protein 0.0156 0.0169 0.0667
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0138 0.0147 0.85
Toxoplasma gondii HEAT repeat-containing protein 0.0063 0.0056 0.0219
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.0151 0.0594
Toxoplasma gondii hypothetical protein 0.0048 0.0037 0.0148
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0047 0.0035 0.2082
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0035 0.1021
Loa Loa (eye worm) hypothetical protein 0.0056 0.0046 0.0182
Schistosoma mansoni diflavin oxidoreductase 0.0077 0.0073 0.0073
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0156 0.0169 0.9866
Brugia malayi FAD binding domain containing protein 0.0156 0.0169 0.0667
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0041 0.1142
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.0186 0.0186
Plasmodium vivax importin-beta 2, putative 0.0063 0.0056 0.3289
Schistosoma mansoni high-affinity choline transporter 0.2091 0.2536 0.2536
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.003 0.0866
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.003 0.0866
Echinococcus multilocularis methionine synthase reductase 0.0096 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0675 0.0803 0.0803
Schistosoma mansoni inositol transporter 0.8195 1 1
Entamoeba histolytica type A flavoprotein, putative 0.006 0.0051 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0041 0.1189
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0156 0.0169 0.4903
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0035 0.1021
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0024 0.0097
Loa Loa (eye worm) hypothetical protein 0.0063 0.0056 0.0219
Brugia malayi N-terminal motif family protein 0.0199 0.0222 0.0875
Loa Loa (eye worm) hypothetical protein 0.2091 0.2536 1
Echinococcus multilocularis importin subunit beta 1 0.0063 0.0056 0.0056
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0156 0.0169 1
Leishmania major hypothetical protein, conserved 0.006 0.0051 0.1487
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.006 0.0051 0.1487
Brugia malayi hypothetical protein 0.0036 0.0022 0.0087
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.006 0.0051 0.3033
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0156 0.0169 0.0169
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0046 0.1332
Echinococcus granulosus geminin 0.0189 0.0209 0.0209
Schistosoma mansoni alpha glucosidase 0.0038 0.0024 0.0024
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0156 0.0169 0.0169
Giardia lamblia Hypothetical protein 0.0138 0.0147 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0894 0.1072 0.1072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0151 0.0151
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0152 0.4401
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0025 0.0009 0.0009
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.0186 0.0735
Leishmania major hypothetical protein, conserved 0.0055 0.0046 0.1332
Echinococcus granulosus high affinity choline transporter 1 0.2091 0.2536 0.2536
Schistosoma mansoni importin beta-1 0.0063 0.0056 0.0056
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.0186 0.0186
Echinococcus multilocularis snurportin 1 0.0675 0.0803 0.0803
Leishmania major mitochondrial DNA polymerase beta 0.03 0.0345 1
Brugia malayi Importin beta-1 subunit 0.0063 0.0056 0.0219
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0046 0.2716
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0156 0.0169 0.4903
Echinococcus granulosus sodium:myo inositol cotransporter 0.8195 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0675 0.0803 0.3169
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0024 0.0024
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0041 0.1193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.0151 0.0594
Echinococcus granulosus GTP binding nuclear protein Ran 0.0047 0.0035 0.0035
Echinococcus multilocularis solute carrier family 5 0.8195 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0171 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.006 0.0051 0.1487
Loa Loa (eye worm) FAD binding domain-containing protein 0.0096 0.0096 0.0379
Schistosoma mansoni inositol transporter 0.8195 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.0186 0.0735
Toxoplasma gondii flavodoxin domain-containing protein 0.0077 0.0073 0.0288
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0024 0.0097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0151 0.0151
Brugia malayi flavodoxin family protein 0.006 0.0051 0.0202
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0156 0.0169 0.4903
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0056 0.1612
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0041 0.1142
Entamoeba histolytica type A flavoprotein, putative 0.006 0.0051 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0156 0.0169 0.0169
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.006 0.0051 0.1487
Trichomonas vaginalis NADPH cytochrome P450, putative 0.006 0.0051 0.1854
Onchocerca volvulus 0.0055 0.0045 0.0179
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0041 0.1142
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0046 0.0182
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0025 0.0098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0151 0.0151
Leishmania major p450 reductase, putative 0.0156 0.0169 0.4903
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0151 0.0151
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0156 0.0169 0.0169
Loa Loa (eye worm) hypothetical protein 0.2091 0.2536 1
Trypanosoma brucei glucosidase, putative 0.0038 0.0024 0.071
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.0345 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0024 0.071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0046 0.0182
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0046 0.2716
Treponema pallidum flavodoxin 0.006 0.0051 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0151 0.0151
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0024 0.0024
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0046 0.0181
Brugia malayi hypothetical protein 0.0055 0.0046 0.0181
Echinococcus granulosus survival motor neuron protein 1 0.0269 0.0307 0.0307
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.2091 0.2536 0.2536
Brugia malayi GH02984p 0.2091 0.2536 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0045 0.0179
Brugia malayi flavodoxin family protein 0.0156 0.0169 0.0667
Leishmania major GTP-binding protein, putative 0.0047 0.0035 0.1021
Echinococcus multilocularis sodium:glucose cotransporter 2 0.8195 1 1
Schistosoma mansoni hypothetical protein 0.0189 0.0209 0.0209
Entamoeba histolytica type A flavoprotein, putative 0.006 0.0051 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0046 0.0181
Entamoeba histolytica Ran family GTPase 0.0047 0.0035 0.4
Loa Loa (eye worm) hypothetical protein 0.0038 0.0025 0.0098
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0056 0.1612
Onchocerca volvulus 0.0168 0.0184 0.0727
Schistosoma mansoni ran 0.0047 0.0035 0.0035
Echinococcus granulosus methionine synthase reductase 0.0096 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0199 0.0222 0.0875
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.003 0.0866
Echinococcus multilocularis sodium:myo inositol cotransporter 0.8195 1 1
Schistosoma mansoni hypothetical protein 0.0055 0.0045 0.0045
Leishmania major cytochrome P450 reductase, putative 0.0138 0.0147 0.4274
Loa Loa (eye worm) hypothetical protein 0.0269 0.0307 0.121
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.0345 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0151 0.0151
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0046 0.0182
Schistosoma mansoni survival motor neuron protein 0.0055 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0189 0.0209 0.0209
Entamoeba histolytica hypothetical protein 0.0051 0.0041 0.6159
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0096 0.0096 0.0096
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0156 0.0169 0.4903
Schistosoma mansoni hypothetical protein 0.0038 0.0025 0.0025
Schistosoma mansoni alpha-glucosidase 0.0146 0.0157 0.0157
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0156 0.0169 0.4903
Echinococcus multilocularis high affinity choline transporter 1 0.2091 0.2536 0.2536
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0156 0.0169 0.4903
Brugia malayi FAD binding domain containing protein 0.0096 0.0096 0.0379
Brugia malayi hypothetical protein 0.0168 0.0184 0.0727
Chlamydia trachomatis sulfite reductase 0.0096 0.0096 1
Plasmodium falciparum importin beta, putative 0.0063 0.0056 0.3289
Trichomonas vaginalis NADPH cytochrome P450, putative 0.006 0.0051 0.1854
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.0345 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.0157 0.0157
Plasmodium vivax flavodoxin domain containing protein 0.0138 0.0147 0.8717
Echinococcus multilocularis geminin 0.0189 0.0209 0.0209
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0152 0.4401
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0199 0.0222 0.0875
Leishmania major importin beta-1 subunit, putative 0.0051 0.0041 0.1189
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0024 0.071
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0009 0.0009
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.0186 0.0186
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0047 0.0035 0.0139
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0046 0.1332
Schistosoma mansoni sodium/solute symporter 0.2091 0.2536 0.2536
Trichomonas vaginalis NADPH cytochrome P450, putative 0.006 0.0051 0.1854
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0046 0.1332
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0156 0.0169 0.4903
Echinococcus granulosus sodium:glucose cotransporter 2 0.8195 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0024 0.071
Trichomonas vaginalis sulfite reductase, putative 0.0156 0.0169 1
Plasmodium vivax hypothetical protein, conserved 0.006 0.0051 0.3033
Entamoeba histolytica type A flavoprotein, putative 0.006 0.0051 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0047 0.0035 0.2388
Echinococcus granulosus solute carrier family 5 0.8195 1 1
Brugia malayi hypothetical protein 0.0269 0.0307 0.121
Schistosoma mansoni ran 0.0047 0.0035 0.0035
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0047 0.0035 0.0139
Schistosoma mansoni cytochrome P450 reductase 0.0156 0.0169 0.0169
Plasmodium falciparum nitric oxide synthase, putative 0.0156 0.0169 1
Onchocerca volvulus 0.0098 0.0099 0.0389
Echinococcus granulosus importin subunit beta 1 0.0063 0.0056 0.0056
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0047 0.0035 0.0139
Trypanosoma cruzi p450 reductase, putative 0.0156 0.0169 0.4903
Echinococcus multilocularis survival motor neuron protein 1 0.0269 0.0307 0.0307
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0047 0.0035 0.1021
Schistosoma mansoni NADPH flavin oxidoreductase 0.0079 0.0074 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0046 0.2716
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0152 0.4401
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0047 0.0035 0.2082
Brugia malayi Sodium:solute symporter family protein 0.2091 0.2536 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0024 0.0097
Giardia lamblia Nitric oxide synthase, inducible 0.0138 0.0147 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0156 0.0169 0.4903
Onchocerca volvulus 0.2091 0.2536 1
Brugia malayi RNA, U transporter 1 0.018 0.0198 0.0781
Mycobacterium ulcerans hypothetical protein 0.0158 0.0171 1
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.006 0.0051 0.1487
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.003 uM Inhibition of inducible nitric oxide synthase (iNOS) in mice ChEMBL. 14698148
IC50 (binding) = 0.003 uM Inhibition of inducible nitric oxide synthase (iNOS) in mice ChEMBL. 14698148
IC50 (binding) = 0.015 uM Inhibition of neuronal nitric oxide synthase (nNOS) in mice ChEMBL. 14698148
IC50 (binding) = 0.015 uM Inhibition of neuronal nitric oxide synthase (nNOS) in mice ChEMBL. 14698148
Selectivity (binding) = 5 Selectivity ratio of IC50 of nNOS to IC50 of iNOS ChEMBL. 14698148

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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