Detailed information for compound 1367923

Basic information

Technical information
  • TDR Targets ID: 1367923
  • Name: MLS000049723
  • MW: 403.477 | Formula: C23H25N5O2
  • H donors: 2 H acceptors: 3 LogP: 3.22 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C31C(=O)N1c4c3c(C)c(C)cc4C(CC1(C)C)C)c(C)n[nH]2
  • InChi: 1S/C23H25N5O2/c1-10-7-14-11(2)8-22(5,6)28-18(14)16(12(10)3)23(21(28)29)15(9-24)19(25)30-20-17(23)13(4)26-27-20/h7,11H,8,25H2,1-6H3,(H,26,27)
  • InChiKey: CTKINVNRJZDMRN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000077760
  • A3648/0154812
  • BAS 08978489
  • 6-amino-3,4',4',6',8',9'-hexamethyl-2'-oxo-5',6'-dihydro-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinoline]-5-carbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873

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
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0512 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0512 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0795 0.0795
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0238 0.0238
Schistosoma mansoni chromobox protein 0.0084 0.0795 0.057
Loa Loa (eye worm) hypothetical protein 0.0512 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0795 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0795 0.0795
Schistosoma mansoni tyrosinase precursor 0.0512 1 1
Brugia malayi hypothetical protein 0.0286 0.5126 0.5126
Loa Loa (eye worm) ShTK domain-containing protein 0.0512 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5126 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0795 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0512 1 1
Brugia malayi Common central domain of tyrosinase family protein 0.0512 1 1
Schistosoma mansoni chromobox protein 0.0084 0.0795 0.057
Onchocerca volvulus 0.0512 1 1
Onchocerca volvulus 0.0058 0.0238 0.0238
Onchocerca volvulus 0.0512 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0512 1 1
Schistosoma mansoni tyrosinase precursor 0.0512 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0077 0.0969
Loa Loa (eye worm) hypothetical protein 0.0286 0.5126 0.5126
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0512 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0512 1 1
Onchocerca volvulus 0.0512 1 1
Onchocerca volvulus 0.0512 1 1
Loa Loa (eye worm) tyrosinase 1 0.0512 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5126 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0077 0.0969

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1585 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
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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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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