Detailed information for compound 503218

Basic information

Technical information
  • TDR Targets ID: 503218
  • Name: 2-(2-aminopyrimidin-4-yl)-1-cyclohexyl-6,7-di hydro-5H-pyrrolo[3,2-c]pyridin-4-one
  • MW: 311.382 | Formula: C17H21N5O
  • H donors: 2 H acceptors: 3 LogP: 1.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nccc(n1)c1cc2c(n1C1CCCCC1)CCNC2=O
  • InChi: 1S/C17H21N5O/c18-17-20-8-6-13(21-17)15-10-12-14(7-9-19-16(12)23)22(15)11-4-2-1-3-5-11/h6,8,10-11H,1-5,7,9H2,(H,19,23)(H2,18,20,21)
  • InChiKey: BCUXQTFYEXTTMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-amino-4-pyrimidinyl)-1-cyclohexyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
  • 2-(2-azanylpyrimidin-4-yl)-1-cyclohexyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cell division cycle 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Loa Loa (eye worm) CDC7 protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus granulosus CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
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
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0406 0.5
Echinococcus granulosus geminin 0.0168 0.6956 0.6946
Echinococcus multilocularis survival motor neuron protein 1 0.0234 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.6045 0.6031
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.6045 0.6031
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4683 0.4664
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0893 0.086
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.2417 0.5
Brugia malayi MH2 domain containing protein 0.0118 0.4683 0.4683
Schistosoma mansoni jun-related protein 0.0068 0.236 0.3359
Schistosoma mansoni hypothetical protein 0.0048 0.1451 0.2046
Echinococcus multilocularis geminin 0.0168 0.6956 0.6946
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0285 0.025
Schistosoma mansoni hypothetical protein 0.0068 0.236 0.3359
Brugia malayi Protein kinase domain containing protein 0.0069 0.2417 0.2417
Schistosoma mansoni zinc finger protein 0.0019 0.015 0.0166
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0406 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1451 0.1451
Onchocerca volvulus 0.0069 0.2417 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2473 0.2446
Loa Loa (eye worm) hypothetical protein 0.0234 1 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.2135 0.3033
Echinococcus multilocularis jun protein 0.0083 0.3075 0.305
Brugia malayi Bromodomain containing protein 0.0038 0.1 0.1
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.2417 0.3441
Brugia malayi Muscleblind-like protein 0.0148 0.6045 0.6045
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.3075 0.305
Schistosoma mansoni hypothetical protein 0.0168 0.6956 1
Giardia lamblia Kinase, CDC7 0.0069 0.2417 0.5
Brugia malayi bZIP transcription factor family protein 0.0083 0.3075 0.3075
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0893 0.086
Loa Loa (eye worm) hypothetical protein 0.0025 0.0406 0.0372
Loa Loa (eye worm) CDC7 protein kinase 0.0069 0.2417 0.239
Loa Loa (eye worm) hypothetical protein 0.0038 0.1004 0.0972
Leishmania major hypothetical protein, conserved 0.0025 0.0406 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0063 0.0028
Schistosoma mansoni hypothetical protein 0.0168 0.6956 1
Echinococcus granulosus muscleblind protein 0.0148 0.6045 0.6031
Schistosoma mansoni hypothetical protein 0.002 0.0198 0.0235
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.1972 0.1944
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0406 0.5
Brugia malayi PHD-finger family protein 0.0025 0.0392 0.0392
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0285 0.036
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0285 0.025
Echinococcus granulosus jun protein 0.0083 0.3075 0.305
Loa Loa (eye worm) hypothetical protein 0.0042 0.1198 0.1166
Brugia malayi Bromodomain containing protein 0.0074 0.2667 0.2667
Echinococcus granulosus zinc finger protein 0.0019 0.015 0.0115
Loa Loa (eye worm) hypothetical protein 0.004 0.1111 0.1079
Echinococcus multilocularis muscleblind protein 0.0148 0.6045 0.6031
Brugia malayi hypothetical protein 0.0065 0.2256 0.2256
Echinococcus granulosus survival motor neuron protein 1 0.0234 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.297 0.2945
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.3075 0.305
Echinococcus multilocularis CDC7 cell division cycle 7 0.0069 0.2417 0.239
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.1972 0.1944
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0198 0.0163
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0406 0.5
Onchocerca volvulus 0.0065 0.2256 0.8327
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.2417 0.5
Schistosoma mansoni survival motor neuron protein 0.0048 0.1451 0.2046
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0406 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.2417 0.5
Echinococcus multilocularis zinc finger protein 0.0019 0.015 0.0115
Echinococcus granulosus CDC7 cell division cycle 7 0.0069 0.2417 0.239
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4683 0.4664
Echinococcus multilocularis muscleblind protein 1 0.0148 0.6045 0.6031
Brugia malayi hypothetical protein 0.0025 0.0406 0.0406
Onchocerca volvulus 0.0069 0.2417 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 5 uM Inhibition of human Cdc7 ChEMBL. 18201066
IC50 (binding) > 5 uM Inhibition of human Cdc7 ChEMBL. 18201066

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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