Detailed information for compound 1275734

Basic information

Technical information
  • TDR Targets ID: 1275734
  • Name: ASN 07101012
  • MW: 265.313 | Formula: C15H15N5
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)Nc1c2CCCc2nc2n1ncn2
  • InChi: 1S/C15H15N5/c1-10-4-2-5-11(8-10)18-14-12-6-3-7-13(12)19-15-16-9-17-20(14)15/h2,4-5,8-9,18H,3,6-7H2,1H3
  • InChiKey: KRJSDIKPQZLGIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000765374
  • SMR000289479
  • ZINC01326210

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Kinesin-5 0.0026 0.018 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1715 0.1715
Brugia malayi isocitrate dehydrogenase 0.0032 0.0347 0.156
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0346 0.1553
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.2226 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1356 0.609
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0347 0.156
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0384 1 1
Plasmodium falciparum kinesin-5 0.0026 0.018 0.5186
Schistosoma mansoni hypothetical protein 0.0069 0.1356 0.1356
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0347 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0347 0.0347
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1356 0.609
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0105 0.3036
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0105 0.3036
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0347 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0346 0.1553
Schistosoma mansoni hypothetical protein 0.0205 0.5081 0.5081
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.2226 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0105 0.3036
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0347 1
Schistosoma mansoni hypothetical protein 0.0032 0.0346 0.0346
Plasmodium vivax kinesin-5 0.0026 0.018 0.5186
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.018 0.5186
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0346 0.0346
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0105 0.5
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0105 0.3036
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0347 0.0347
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.2226 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.2226 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Brugia malayi Kinesin motor domain containing protein 0.0026 0.018 0.0809
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0346 0.0346
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0347 0.0347
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0347 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0105 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0105 1
Schistosoma mansoni hypothetical protein 0.0032 0.0346 0.0346
Echinococcus multilocularis geminin 0.0205 0.5081 0.5081
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0347 0.156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0346 0.0346
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0346 0.1553
Entamoeba histolytica kinesin, putative 0.0026 0.018 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0346 0.0346
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.018 0.0809
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0105 0.3036
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0105 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0346 0.1553
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0347 0.0347
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0347 0.0347
Schistosoma mansoni amine GPCR 0.034 0.8797 0.8797
Schistosoma mansoni kinesin eg-5 0.0026 0.018 0.018
Echinococcus granulosus geminin 0.0205 0.5081 0.5081
Schistosoma mansoni biogenic amine (5HT) receptor 0.0384 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0347 1
Echinococcus multilocularis kinesin family 1 0.0198 0.4899 0.4899
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0105 0.3036
Echinococcus granulosus kinesin family 1 0.0198 0.4899 0.4899
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1715 0.1715
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0347 1
Echinococcus granulosus GPCR family 2 0.0032 0.0346 0.0346
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1715 0.7706
Schistosoma mansoni hypothetical protein 0.0205 0.5081 0.5081
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0082 0.1715 0.7706
Schistosoma mansoni hypothetical protein 0.0032 0.0346 0.0346
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0347 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0347 0.0347
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0347 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0105 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0347 1
Schistosoma mansoni hypothetical protein 0.0032 0.0346 0.0346
Onchocerca volvulus 0.0082 0.1715 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0105 0.5854
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0347 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0105 0.3036
Echinococcus multilocularis GPCR, family 2 0.0032 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0172 0.4195 0.4195
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1715 0.1715
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0058 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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