Detailed information for compound 1759014

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.377 | Formula: C19H21N
  • H donors: 0 H acceptors: 0 LogP: 4.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]1[C@H]2CC[C@H](N2c2ccccc2)c2c1cccc2
  • InChi: 1S/C19H21N/c1-2-15-16-10-6-7-11-17(16)19-13-12-18(15)20(19)14-8-4-3-5-9-14/h3-11,15,18-19H,2,12-13H2,1H3/t15-,18-,19+/m1/s1
  • InChiKey: PLCRLFLIEVLCIB-LZQZEXGQSA-N  


Substructure search Similarity search

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 Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
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
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0027 0.0103 0.0103
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0189 0.1832 0.3708
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0033 0.0176 0.5
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0196 0.1905 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0153 0.1445 0.7446
Trypanosoma cruzi UDP-galactopyranose mutase 0.0094 0.082 0.7385
Trypanosoma brucei unspecified product 0.0049 0.0342 0.1798
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0094 0.082 0.6174
Leishmania major carboxylase, putative 0.0075 0.0614 0.3226
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0027 0.0103 0.1676
Brugia malayi amine oxidase, flavin-containing family protein 0.0167 0.1602 0.2981
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0075 0.0614 0.2839
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0094 0.082 0.4307
Trypanosoma cruzi UDP-galactopyranose mutase 0.0094 0.082 0.7385
Schistosoma mansoni amine oxidase 0.0094 0.082 0.4307
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0027 0.0103 0.0541
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0094 0.082 0.082
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0027 0.0103 0.0103
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0153 0.1445 0.7584
Brugia malayi N-terminal motif family protein 0.0218 0.2142 0.5042
Echinococcus multilocularis 0.0094 0.082 0.3982
Brugia malayi Carboxyl transferase domain containing protein 0.0189 0.1832 0.3858
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0142 0.1329 1
Leishmania major acetyl-CoA carboxylase, putative 0.0196 0.1905 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0094 0.082 0.3982
Trypanosoma brucei acetyl-CoA carboxylase 0.0196 0.1905 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.2142 0.4846
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0075 0.0614 0.5531
Onchocerca volvulus CoRest homolog 0.035 0.3548 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0075 0.0614 0.0614
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2142 0.3099
Mycobacterium ulcerans dehydrogenase 0.0094 0.082 0.082
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0862 0.9 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0075 0.0614 0.3226
Mycobacterium tuberculosis Possible oxidoreductase 0.0094 0.082 0.0806
Loa Loa (eye worm) hypothetical protein 0.035 0.3548 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0094 0.082 0.3982
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0153 0.1445 0.7446
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0027 0.0103 0.0541
Trypanosoma cruzi acetyl-CoA carboxylase 0.0121 0.1111 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0027 0.0103 0.0927
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0075 0.0614 0.0614
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0075 0.0614 0.5531
Mycobacterium ulcerans oxidoreductase 0.0094 0.082 0.082
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0075 0.0614 0.0614
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0027 0.0103 0.0927
Mycobacterium ulcerans monoamine oxidase 0.0094 0.082 0.082
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0027 0.0103 0.0103
Brugia malayi Myb-like DNA-binding domain containing protein 0.034 0.3442 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0094 0.082 0.0806
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.0614 0.3226
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0094 0.082 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.0614 0.3226
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0094 0.082 0.6174
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0027 0.0103 0.0541
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0142 0.1329 1
Schistosoma mansoni amine oxidase 0.0094 0.082 0.4307
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0075 0.0614 0.2839
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0027 0.0103 0.0927
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0027 0.0103 0.0103
Schistosoma mansoni acetyl-CoA carboxylase 0.0196 0.1905 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0033 0.0176 0.5
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0027 0.0103 0.0103
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0196 0.1905 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.1445 0.2289
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0075 0.0614 0.3226
Toxoplasma gondii pyruvate carboxylase 0.0075 0.0614 0.3226
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0094 0.082 0.4307
Plasmodium falciparum protoporphyrinogen oxidase 0.0094 0.082 0.6174
Plasmodium vivax hypothetical protein, conserved 0.0094 0.082 0.6174
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0027 0.0103 0.0103
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0075 0.0614 0.0575
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0075 0.0614 0.0575
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0075 0.0614 0.7129
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0196 0.1905 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0027 0.0103 0.0541
Loa Loa (eye worm) hypothetical protein 0.034 0.3442 0.9612
Loa Loa (eye worm) hypothetical protein 0.0153 0.1445 0.2289
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0094 0.082 0.6174
Loa Loa (eye worm) hypothetical protein 0.0161 0.1536 0.2622
Chlamydia trachomatis biotin carboxylase 0.0068 0.0541 0.6111
Loa Loa (eye worm) hypothetical protein 0.0159 0.1511 0.2531
Toxoplasma gondii histone lysine-specific demethylase 0.0094 0.082 0.4307
Schistosoma mansoni pyruvate carboxylase 0.0075 0.0614 0.3226
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0094 0.082 0.6174
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0027 0.0103 0.0541
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0956 1 1
Plasmodium vivax hypothetical protein, conserved 0.0094 0.082 0.6174
Mycobacterium ulcerans pyruvate carboxylase 0.0075 0.0614 0.0614
Chlamydia trachomatis protoporphyrinogen oxidase 0.0094 0.082 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.1662 0.3087
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0196 0.1905 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0075 0.0614 1
Leishmania major UDP-galactopyranose mutase 0.0094 0.082 0.4307
Brugia malayi SWIRM domain containing protein 0.0159 0.1511 0.2634
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0075 0.0614 0.3226

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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