Detailed information for compound 1603842

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 158.629 | Formula: C7H11ClN2
  • H donors: 1 H acceptors: 1 LogP: 2.07 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)nc(c1)N.Cl
  • InChi: 1S/C7H10N2.ClH/c1-5-3-6(2)9-7(8)4-5;/h3-4H,1-2H3,(H2,8,9);1H
  • InChiKey: IVYNRBIBKZSDHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Nitric-oxide synthase, brain 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
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 1 0.5
Brugia malayi FAD binding domain containing protein 0.0027 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni opsin-like receptor 0.0016 0.1503 0.1503
Trichomonas vaginalis sulfite reductase, putative 0.0027 1 1
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni opsin-like receptor 0.0016 0.1503 0.1503
Loa Loa (eye worm) FAD binding domain-containing protein 0.0017 0.2291 0.0928
Onchocerca volvulus 0.0016 0.1503 0.5
Giardia lamblia Hypothetical protein 0.0024 0.7709 0.5
Echinococcus multilocularis methionine synthase reductase 0.0017 0.2291 0.0928
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0027 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 1 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0027 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0016 0.1503 0.1503
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.1503 0.1503
Schistosoma mansoni neuropeptide receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni biogenic amine receptor 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 1 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni amine GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni hypothetical protein 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni amine GPCR 0.0016 0.1503 0.1503
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0016 0.1503 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0017 0.2291 0.2291
Onchocerca volvulus 0.0016 0.1503 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 1 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0027 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni adenoreceptor 0.0016 0.1503 0.1503
Trypanosoma cruzi p450 reductase, putative 0.0027 1 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.7709 0.5
Chlamydia trachomatis sulfite reductase 0.0017 0.2291 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni amine GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0016 0.1503 0.1503
Loa Loa (eye worm) hypothetical protein 0.0027 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0016 0.1503 0.1503
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0016 0.1503 0.1503
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0027 1 0.5
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0027 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0016 0.1503 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 1 1
Onchocerca volvulus 0.0016 0.1503 0.5
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni biogenic amine receptor 0.0016 0.1503 0.1503
Schistosoma mansoni amine GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni biogenic amine receptor 0.0016 0.1503 0.1503
Schistosoma mansoni hypothetical protein 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni myosin xvIII 0.0016 0.1503 0.1503
Echinococcus granulosus methionine synthase reductase 0.0017 0.2291 0.0928
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1503 0.1503
Schistosoma mansoni neuropeptide receptor 0.0016 0.1503 0.1503
Schistosoma mansoni amine GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Schistosoma mansoni neuropeptide f receptor 76f 0.0016 0.1503 0.1503
Brugia malayi FAD binding domain containing protein 0.0017 0.2291 0.0928
Schistosoma mansoni hypothetical protein 0.0016 0.1503 0.1503
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 1 1
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni alpha-1 adrenergic receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni opsin-like receptor 0.0016 0.1503 0.1503
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1503 0.1503
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0016 0.1503 0.1503
Plasmodium falciparum nitric oxide synthase, putative 0.0027 1 0.5
Schistosoma mansoni histamine h1 receptor 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Onchocerca volvulus 0.0016 0.1503 0.5
Leishmania major p450 reductase, putative 0.0027 1 1
Schistosoma mansoni neuropeptide receptor 0.0016 0.1503 0.1503
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1503 0.1503
Onchocerca volvulus 0.0016 0.1503 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1503 0.1503
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0016 0.1503 0.1503

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.05 uM Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay ChEMBL. 22370337
IC50 (binding) = 25 uM Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assay ChEMBL. 22370337

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

No literature references available for this target.

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