Detailed information for compound 1529483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.314 | Formula: C15H16N4O
  • H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)NN=Cc1ccc(cc1)N(C)C
  • InChi: 1S/C15H16N4O/c1-19(2)14-7-5-12(6-8-14)10-17-18-15(20)13-4-3-9-16-11-13/h3-11H,1-2H3,(H,18,20)
  • InChiKey: OUIUFGWOJCNQRW-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3458 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0118 0.0118
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase A, ppia, putative 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Leishmania major cyclophilin 9, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2591 0.7492
Toxoplasma gondii cyclophilin, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase (cyclophilin- 40), putative 0.0008 0 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0341
Trichomonas vaginalis cyclophilin, putative 0.0008 0 0.5
Trypanosoma cruzi rotamase, putative 0.0008 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3458 1
Echinococcus multilocularis Smad4 0.001 0.0118 0.0341
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Leishmania major cyclophilin 6, putative 0.0008 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0118 0.0118
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trypanosoma cruzi rotamase, putative 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.2591 1
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Leishmania major cyclophilin 11, putative 0.0008 0 0.5
Leishmania major cyclophilin 12, putative 0.0008 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3458 1
Toxoplasma gondii cyclophilin precursor 0.0008 0 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 8, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin type peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Schistosoma mansoni smad 0.001 0.0118 0.0341
Leishmania major cyclophilin 4, putative 0.0008 0 0.5
Echinococcus granulosus Smad4 0.001 0.0118 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3458 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2591 0.7492
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3458 0.3458
Plasmodium vivax peptidyl-prolyl cis-trans isomerase 11, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Mycobacterium tuberculosis Probable iron-regulated peptidyl-prolyl cis-trans isomerase A PpiA (PPIase A) (rotamase A) 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.2591 1
Mycobacterium leprae Probable peptidyl-prolyl cis-trans isomerase PpiA (PPIase A) (Rotamase A) 0.0008 0 0.5
Trichomonas vaginalis cyclophilin, putative 0.0008 0 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0118 0.0341
Toxoplasma gondii peptidylprolyl isomerase domain-containing protein 0.0008 0 0.5
Trypanosoma brucei cyclophilin type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Leishmania major cyclophilin 14, putative 0.0008 0 0.5
Trypanosoma cruzi rotamase, putative 0.0008 0 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0118 0.0341
Treponema pallidum peptidyl-prolyl cis-trans isomerase, cyclophilin-binding (cyp) 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.2591 0.7492
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Leishmania major cyclosporin 16, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Mycobacterium ulcerans peptidyl-prolyl cis-trans isomerase B PpiB 0.0008 0 0.5
Trichomonas vaginalis cyclophilin, putative 0.0008 0 0.5
Trypanosoma cruzi PPIase, putative 0.0008 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3458 0.3458
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 5, putative 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.2591 1
Leishmania major cyclophilin 3, putative 0.0008 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Toxoplasma gondii cyclophilin 0.0008 0 0.5
Trypanosoma brucei cyclophilin type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3458 1
Echinococcus multilocularis smad 0.001 0.0118 0.0341
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0118 0.0341
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Mycobacterium tuberculosis Probable peptidyl-prolyl cis-trans isomerase B PpiB (cyclophilin) (PPIase) (rotamase) (peptidylprolyl isomerase) 0.0008 0 0.5
Toxoplasma gondii U-snRNP-associated cyclophilin family protein 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trypanosoma cruzi 40 kDa cyclophilin, putative 0.0008 0 0.5
Leishmania major cyclophilin a 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.2591 1
Trypanosoma brucei cyclophilin type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Plasmodium vivax cyclophilin, putative 0.0008 0 0.5
Leishmania major cyclophilin 2 0.0008 0 0.5
Toxoplasma gondii peptidyl-prolyl isomerase 0.0008 0 0.5
Brugia malayi Smad1 0.001 0.0118 0.0118
Trypanosoma cruzi rotamase, putative 0.0008 0 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0341
Mycobacterium ulcerans peptidyl-prolyl cis-trans isomerase A, PpiA 0.0008 0 0.5
Brugia malayi hypothetical protein 0.0043 0.2591 0.2591
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi MH1 domain containing protein 0.001 0.0118 0.0118
Giardia lamblia Peptidyl-prolyl cis-trans isomerase B precursor 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 40 0.0008 0 0.5
Trypanosoma cruzi rotamase, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 10, putative 0.0008 0 0.5
Loa Loa (eye worm) Smad1 0.001 0.0118 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Toxoplasma gondii cyclophilin, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin-like protein, putative 0.0008 0 0.5
Trypanosoma cruzi 21 kDa cyclophilin, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 13, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0118 0.0341
Giardia lamblia Peptidyl-prolyl cis-trans isomerase B precursor 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Onchocerca volvulus 0.0008 0 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0118 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3458 1
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase D, ppid, putative 0.0008 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3458 1
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, cyclophilin-type domain-containing protein 0.0008 0 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Toxoplasma gondii cyclophilin 1, putative 0.0008 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Trypanosoma cruzi cyclophilin-like protein, putative 0.0008 0 0.5
Echinococcus granulosus smad 0.001 0.0118 0.0341
Trypanosoma cruzi hypothetical protein, conserved 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0118 0.0118
Trypanosoma brucei Peptidyl-prolyl cis-trans isomerase C, mitochondrial, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin, putative 0.0008 0 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0118 0.0341
Onchocerca volvulus 0.0008 0 0.5
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Toxoplasma gondii cyclophilin, putative 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0008 0 0.5
Trypanosoma brucei cyclophilin, putative 0.0008 0 0.5
Mycobacterium leprae Probable peptidyl-prolyl cis-trans isomerase B PpiB (Cyclopphilin) (Ppiase) (Rotamase) (Peptidylprolyl isomerase) 0.0008 0 0.5
Onchocerca volvulus 0.0008 0 0.5
Trypanosoma brucei cyclophilin 15, putative 0.0008 0 0.5
Plasmodium vivax unspecified product 0.0008 0 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase family 1 0.0008 0 0.5
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2591 0.7492
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase A, ppia, putative 0.0008 0 0.5
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase B precursor, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin a 0.0008 0 0.5
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, cyclophilin-type domain-containing protein 0.0008 0 0.5
Trypanosoma brucei cyclophilin type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Trypanosoma cruzi 35 kDa cyclophilin, putative 0.0008 0 0.5
Schistosoma mansoni Smad4 0.001 0.0118 0.0341
Trichomonas vaginalis cyclophillin, putative 0.0008 0 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0118 0.0118
Trypanosoma brucei cyclophilin-type peptidyl-prolyl cis-trans isomerase, putative 0.0008 0 0.5
Leishmania major cyclophilin 7, putative 0.0008 0 0.5
Trypanosoma brucei RNA-binding protein, putative 0.0008 0 0.5
Trypanosoma cruzi cyclophilin-like protein, putative 0.0008 0 0.5
Trypanosoma brucei cyclophilin, putative 0.0008 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0118 0.0118

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. 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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