Detailed information for compound 1869547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.538 | Formula: C27H28N4
  • H donors: 1 H acceptors: 3 LogP: 6.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1c(NCc2ccc(cc2)c2cccnc2)nc(nc1C)c1ccccc1C(C)C
  • InChi: 1S/C27H28N4/c1-18(2)24-9-5-6-10-25(24)27-30-20(4)19(3)26(31-27)29-16-21-11-13-22(14-12-21)23-8-7-15-28-17-23/h5-15,17-18H,16H2,1-4H3,(H,29,30,31)
  • InChiKey: CSOBQKMAXFQFRJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 References
Homo sapiens WD repeat domain 48 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans six potential WD domain G-beta repeats Get druggable targets OG5_129752 All targets in OG5_129752
Toxoplasma gondii hypothetical protein Get druggable targets OG5_129752 All targets in OG5_129752
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129752 All targets in OG5_129752
Echinococcus granulosus WD repeat containing protein 48 Get druggable targets OG5_129752 All targets in OG5_129752
Candida albicans six potential WD domain G-beta repeats Get druggable targets OG5_129752 All targets in OG5_129752
Brugia malayi Hypothetical WD-repeat protein F35G12.4 in chromosome III Get druggable targets OG5_129752 All targets in OG5_129752
Schistosoma japonicum WD repeat-containing protein 48, putative Get druggable targets OG5_129752 All targets in OG5_129752
Echinococcus multilocularis WD repeat containing protein 48 Get druggable targets OG5_129752 All targets in OG5_129752
Schistosoma mansoni hypothetical protein Get druggable targets OG5_129752 All targets in OG5_129752

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 thymidylate synthase 0.1458 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1458 1 0.5
Mycobacterium ulcerans thymidylate synthase 0.1458 1 0.5
Onchocerca volvulus 0.1458 1 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1458 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1458 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1458 1 1
Loa Loa (eye worm) thymidylate synthase 0.1458 1 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1458 1 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1458 1 1
Echinococcus multilocularis thymidylate synthase 0.1458 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1458 1 0.5
Brugia malayi hypothetical protein 0.0694 0.4489 0.4268
Trichomonas vaginalis conserved hypothetical protein 0.0694 0.4489 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1458 1 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1458 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay ChEMBL. 25229643
Potency (functional) 0.1358 uM PubChem BioAssay. Inhibitors of USP1/UAF1: SAR in Primary Assay. (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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.