Detailed information for compound 999726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.315 | Formula: C18H13N3O
  • H donors: 2 H acceptors: 1 LogP: 3.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=N/C/1=C\c1c[nH]c2c1cccc2)c1ccccc1
  • InChi: 1S/C18H13N3O/c22-18-16(20-17(21-18)12-6-2-1-3-7-12)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,19H,(H,20,21,22)/b16-10-
  • InChiKey: DXONXXWGFLRWKW-YBEGLDIGSA-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 cell division cycle 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative 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
Candida albicans protein serine/threonine kinase 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
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
Echinococcus multilocularis CDC7 cell division cycle 7 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
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
Trichomonas vaginalis CMGC family protein kinase 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

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
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.1716 0.3015
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.5162 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.1716 0.2505
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.5032 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.5162 0.8309
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.1716 0.3015
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.1716 0.3015
Loa Loa (eye worm) hypothetical protein 0.0037 0.1716 0.1716
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.5162 0.8309
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.5162 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.1716 0.0928
Schistosoma mansoni hypothetical protein 0.0037 0.1716 0.2505
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.5032 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.5162 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.219 0.3975
Loa Loa (eye worm) hypothetical protein 0.008 0.6166 0.6166
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0356 0.0356
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.1716 0.1716
Schistosoma mansoni hypothetical protein 0.0037 0.1716 0.2505
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0585 0.0721
Echinococcus multilocularis CDC7 cell division cycle 7 0.0069 0.5032 0.9737
Loa Loa (eye worm) CDC7 protein kinase 0.0069 0.5032 0.5032
Schistosoma mansoni bromodomain containing protein 0.0073 0.5469 0.8826
Loa Loa (eye worm) hypothetical protein 0.0049 0.2995 0.2995
Brugia malayi Bromodomain containing protein 0.0044 0.2474 0.1758
Schistosoma mansoni hypothetical protein 0.0024 0.0356 0.0213
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.5162 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0585 0.0721
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.5032 0.8091
Loa Loa (eye worm) hypothetical protein 0.0044 0.2482 0.2482
Brugia malayi Calcitonin receptor-like protein seb-1 0.0117 1 1
Schistosoma mansoni hypothetical protein 0.008 0.6166 1
Trichomonas vaginalis CMGC family protein kinase 0.0069 0.5032 0.5
Brugia malayi Protein kinase domain containing protein 0.0069 0.5032 0.456
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.5162 0.5
Onchocerca volvulus 0.0069 0.5032 0.5
Giardia lamblia Kinase, CDC7 0.0069 0.5032 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.504 0.9752
Loa Loa (eye worm) hypothetical protein 0.0047 0.2766 0.2766
Echinococcus granulosus CDC7 cell division cycle 7 0.0069 0.5032 0.9737
Echinococcus granulosus GPCR family 2 0.0037 0.1716 0.3015
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.5162 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.504 0.9752
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.5162 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0585 0.0599
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.5162 1
Brugia malayi Latrophilin receptor protein 2 0.0037 0.1716 0.0928
Schistosoma mansoni hypothetical protein 0.0037 0.1716 0.2505
Onchocerca volvulus 0.0069 0.5032 0.5
Echinococcus multilocularis GPCR, family 2 0.0037 0.1716 0.3015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.219 0.3975
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.1716 0.3015
Loa Loa (eye worm) hypothetical protein 0.0082 0.6361 0.6361
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0117 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.6166 0.5801
Brugia malayi Bromodomain containing protein 0.0086 0.6874 0.6577

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of Cdc7-mediated phosphorylation of Mcm2 ChEMBL. 19555113

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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