Detailed information for compound 1617365

Basic information

Technical information
  • TDR Targets ID: 1617365
  • Name: N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)- 1H-indol-5-yl]furan-2-carboximidamide
  • MW: 320.388 | Formula: C19H20N4O
  • H donors: 2 H acceptors: 0 LogP: 2.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(=CC1)c1c[nH]c2c1cc(cc2)NC(=N)c1ccco1
  • InChi: 1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
  • InChiKey: FGOJTWGOHRIUFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]furan-2-carboxamidine
  • N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-2-furancarboxamidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL No references
Bos taurus 5-hydroxytryptamine 1D receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_133680 All targets in OG5_133680
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133680 All targets in OG5_133680
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative 5-hydroxytryptamine 1D receptor   119 aa 100 aa 37.0 %
Schistosoma japonicum Octopamine receptor, putative 5-hydroxytryptamine 1D receptor   119 aa 123 aa 34.1 %
Onchocerca volvulus 5-hydroxytryptamine 1D receptor   119 aa 102 aa 45.1 %
Onchocerca volvulus 5-hydroxytryptamine 1D receptor   119 aa 96 aa 39.6 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative 5-hydroxytryptamine 1D receptor   119 aa 98 aa 26.5 %
Onchocerca volvulus 5-hydroxytryptamine 1D receptor   119 aa 104 aa 39.4 %
Schistosoma mansoni biogenic amine receptor 5-hydroxytryptamine 1D receptor   119 aa 96 aa 37.5 %
Loa Loa (eye worm) hypothetical protein 5-hydroxytryptamine 1D receptor   119 aa 97 aa 27.8 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog 5-hydroxytryptamine 1D receptor   119 aa 97 aa 28.9 %
Echinococcus granulosus biogenic amine 5HT receptor 5-hydroxytryptamine 1D receptor   119 aa 119 aa 41.2 %
Schistosoma mansoni biogenic amine (dopamine) receptor 5-hydroxytryptamine 1D receptor   119 aa 100 aa 33.0 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative 5-hydroxytryptamine 1D receptor   119 aa 100 aa 37.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative 5-hydroxytryptamine 1D receptor   119 aa 104 aa 35.6 %
Loa Loa (eye worm) hypothetical protein 5-hydroxytryptamine 1D receptor   119 aa 96 aa 33.3 %
Echinococcus multilocularis neuropeptides capa receptor 5-hydroxytryptamine 1D receptor   119 aa 104 aa 23.1 %
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 5-hydroxytryptamine 1D receptor   119 aa 117 aa 31.6 %
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 5-hydroxytryptamine 1D receptor   119 aa 99 aa 35.4 %
Schistosoma mansoni biogenic amine receptor 5-hydroxytryptamine 1D receptor   119 aa 97 aa 34.0 %
Echinococcus multilocularis g protein coupled receptor 5-hydroxytryptamine 1D receptor   119 aa 97 aa 26.8 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 5-hydroxytryptamine 1D receptor   119 aa 96 aa 35.4 %
Schistosoma japonicum Octopamine receptor, putative 5-hydroxytryptamine 1D receptor   119 aa 96 aa 36.5 %
Schistosoma mansoni biogenic amine (5HT) receptor 5-hydroxytryptamine 1D receptor   119 aa 96 aa 42.7 %
Echinococcus granulosus g protein coupled receptor 5-hydroxytryptamine 1D receptor   119 aa 97 aa 26.8 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative 5-hydroxytryptamine 1D receptor   119 aa 117 aa 36.8 %
Onchocerca volvulus 26S proteasome non-ATPase regulatory subunit 1 homolog 5-hydroxytryptamine 1D receptor   119 aa 101 aa 38.6 %
Echinococcus multilocularis neuropeptide FF receptor 2 5-hydroxytryptamine 1D receptor   119 aa 118 aa 32.2 %
Schistosoma mansoni amine GPCR 5-hydroxytryptamine 1D receptor   119 aa 98 aa 42.9 %
Echinococcus granulosus neuropeptide FF receptor 2 5-hydroxytryptamine 1D receptor   119 aa 121 aa 30.6 %
Schistosoma mansoni thyrotropin-releasing hormone receptor 5-hydroxytryptamine 1D receptor   119 aa 108 aa 31.5 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog 5-hydroxytryptamine 1D receptor   119 aa 102 aa 40.2 %
Onchocerca volvulus 5-hydroxytryptamine 1D receptor   119 aa 103 aa 21.4 %
Brugia malayi Serotonin/octopamine receptor family protein 7 5-hydroxytryptamine 1D receptor   119 aa 102 aa 40.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor 5-hydroxytryptamine 1D receptor   119 aa 97 aa 23.7 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 5-hydroxytryptamine 1D receptor   119 aa 100 aa 30.0 %
Schistosoma mansoni adenoreceptor 5-hydroxytryptamine 1D receptor   119 aa 100 aa 32.0 %
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 5-hydroxytryptamine 1D receptor   119 aa 98 aa 39.8 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative 5-hydroxytryptamine 1D receptor   119 aa 96 aa 34.4 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative 5-hydroxytryptamine 1D receptor   119 aa 96 aa 36.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor 5-hydroxytryptamine 1D receptor   119 aa 97 aa 34.0 %
Echinococcus granulosus biogenic amine 5HT receptor 5-hydroxytryptamine 1D receptor   119 aa 104 aa 44.2 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative 5-hydroxytryptamine 1D receptor   119 aa 119 aa 30.3 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog 5-hydroxytryptamine 1D receptor   119 aa 100 aa 30.0 %
Echinococcus multilocularis biogenic amine (5HT) receptor 5-hydroxytryptamine 1D receptor   119 aa 104 aa 45.2 %
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative 5-hydroxytryptamine 1D receptor   119 aa 99 aa 43.4 %
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative 5-hydroxytryptamine 1D receptor   119 aa 96 aa 42.7 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 5-hydroxytryptamine 1D receptor   119 aa 99 aa 37.4 %
Echinococcus multilocularis serotonin receptor 5-hydroxytryptamine 1D receptor   119 aa 119 aa 41.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii flavodoxin domain-containing protein 0.0013 0.008 0.1062
Schistosoma mansoni NADPH flavin oxidoreductase 0.0014 0.0087 0.0342
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0027 0.0525 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0986 0.3006
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.1187 0.362
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0525 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0017 0.0187 0.0739
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0525 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0017 0.0187 0.0187
Plasmodium vivax flavodoxin domain containing protein 0.0024 0.0424 0.5644
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0752 0.2294
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0017 0.022
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0017 0.004
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 0.0525 1
Echinococcus granulosus nibrin 0.0011 0.0017 0.0051
Schistosoma mansoni diflavin oxidoreductase 0.0013 0.008 0.0315
Echinococcus granulosus jumonji domain containing protein 0.0047 0.1187 0.362
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.0017 0.022
Onchocerca volvulus Alhambra homolog 0.0034 0.0752 1
Brugia malayi AF-10 protein 0.0011 0.0005 0.0011
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0005 0.006
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0752 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0011 0.0005 0.0086
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 0.0525 0.1601
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0017 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0017 0.0316
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.1935 0.1935
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.0424 0.5545
Trypanosoma cruzi FHA domain containing protein, putative 0.0011 0.0017 0.0316
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.3279 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0752 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Echinococcus multilocularis peregrin 0.0034 0.0752 0.2294
Schistosoma mansoni topbp1 0.0011 0.0017 0.0065
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0986 0.3894
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 0.0525 0.6979
Leishmania major cytochrome P450 reductase, putative 0.0024 0.0424 0.8087
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0017 0.0051
Brugia malayi PHD-finger family protein 0.0011 0.0005 0.0011
Brugia malayi flavodoxin family protein 0.0027 0.0525 0.1253
Brugia malayi FAD binding domain containing protein 0.0027 0.0525 0.1253
Plasmodium falciparum nitric oxide synthase, putative 0.0027 0.0525 0.6979
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.0017 0.022
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0017 0.0051
Echinococcus granulosus methionine synthase reductase 0.0017 0.0187 0.057
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.0017 0.022
Brugia malayi PHD-finger family protein 0.0034 0.0752 0.1795
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0986 0.3894
Echinococcus multilocularis nibrin 0.0011 0.0017 0.0051
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0027 0.0525 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0005 0.0011
Schistosoma mansoni topbp1 0.0011 0.0017 0.0065
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0752 0.2294
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0017 0.0316
Echinococcus multilocularis methionine synthase reductase 0.0017 0.0187 0.057
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Trichomonas vaginalis sulfite reductase, putative 0.0027 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Leishmania major p450 reductase, putative 0.0027 0.0525 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.3279 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.0034 0.0752 0.0752
Treponema pallidum DNA ligase (lig) 0.0011 0.0017 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0024 0.0424 0.8024
Loa Loa (eye worm) hypothetical protein 0.0027 0.0525 0.0525
Trypanosoma cruzi p450 reductase, putative 0.0027 0.0525 1
Brugia malayi FAD binding domain containing protein 0.0017 0.0187 0.0446
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0017 0.5
Brugia malayi hypothetical protein 0.0011 0.0017 0.004
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0986 0.3006
Loa Loa (eye worm) hypothetical protein 0.0058 0.1546 0.1546
Brugia malayi hypothetical protein 0.0011 0.0017 0.004
Brugia malayi topoisomerase 0.0011 0.0017 0.004
Schistosoma mansoni cytochrome P450 reductase 0.0027 0.0525 0.2074
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0011 0.0005 0.0086
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 0.0525 0.1601
Schistosoma mansoni hypothetical protein 0.0011 0.0005 0.0018
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.419 0.419
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 0.0525 1
Brugia malayi MH2 domain containing protein 0.0138 0.419 1
Brugia malayi jmjC domain containing protein 0.0111 0.3279 0.7827
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0005 0.006
Chlamydia trachomatis sulfite reductase 0.0017 0.0187 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0011 0.0005 0.006
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0017 0.0316
Schistosoma mansoni hypothetical protein 0.0034 0.0752 0.2971
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0017 0.0065
Brugia malayi Bromodomain containing protein 0.0034 0.0752 0.1795
Echinococcus granulosus peregrin 0.0034 0.0752 0.2294
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0525 1
Schistosoma mansoni DNA ligase IV 0.0011 0.0017 0.0065
Schistosoma mansoni jumonji domain containing protein 0.0088 0.2531 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 0.0525 0.0525
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Plasmodium falciparum phd finger protein, putative 0.0034 0.0752 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.419 0.419
Giardia lamblia Hypothetical protein 0.0024 0.0424 0.5545
Toxoplasma gondii flavodoxin domain-containing protein 0.0013 0.008 0.1062
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0752 0.0752
Brugia malayi DKFZp564C0469 protein 0.0011 0.0017 0.004
Entamoeba histolytica hypothetical protein 0.0011 0.0017 0.5
Brugia malayi jmjC domain containing protein 0.0041 0.0986 0.2353
Toxoplasma gondii PHD-finger domain-containing protein 0.0011 0.0005 0.006
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0027 0.0525 0.1601
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0752 0.2971
Giardia lamblia PHD finger protein 15 0.0034 0.0752 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0017 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0986 0.0986
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0027 0.0525 0.1601
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0017 0.0316
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0017 0.004
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0525 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0752 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 nM Binding Assay BINDINGDB. No reference
IC50 (binding) = 1780 nM Enzyme Assay BINDINGDB. No reference
IC50 (binding) = 54000 nM BindingDB_Patents: Enzyme Assay. Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS). ChEMBL. No reference
IC50 (binding) = 58000 nM Enzyme Assay BINDINGDB. No reference

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.

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