Detailed information for compound 500645

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.517 | Formula: C28H25N3O2
  • H donors: 2 H acceptors: 3 LogP: 6.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)c1ccc2c(c1)ncc(c2Nc1ccccc1)C(=O)N)C1CCCC1
  • InChi: 1S/C28H25N3O2/c29-28(33)24-17-30-25-16-21(14-15-23(25)26(24)31-22-8-2-1-3-9-22)18-10-12-20(13-11-18)27(32)19-6-4-5-7-19/h1-3,8-17,19H,4-7H2,(H2,29,33)(H,30,31)
  • InChiKey: TURITJGBAMUOHE-UHFFFAOYSA-N  


Substructure search Similarity search

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 colony stimulating factor 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
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 roundabout 2 0.0019 0.0094 0.0094
Echinococcus multilocularis protein arginine methyltransferase 0.0041 0.0562 0.1672
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0041 0.0562 1
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0023 0.0191 0.0567
Schistosoma mansoni deoxyribonuclease 1 related 0.0175 0.3294 1
Schistosoma mansoni cell adhesion molecule 0.0019 0.0094 0.0285
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0023 0.0191 0.1831
Echinococcus multilocularis deoxyribonuclease 1 2 0.0178 0.336 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0041 0.0562 0.5
Echinococcus multilocularis deoxyribonuclease 1 2 0.0175 0.3294 0.9804
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.0094 0.0094
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0065 0.1041 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0094 0.0903
Echinococcus granulosus deoxyribonuclease 1 0.0175 0.3294 0.3294
Brugia malayi hypothetical protein 0.0065 0.1041 1
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0065 0.1041 1
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0023 0.0191 0.0191
Echinococcus granulosus protein arginine N methyltransferase 8 0.0041 0.0562 0.0562
Echinococcus granulosus deoxyribonuclease 1 0.0175 0.3294 0.3294
Brugia malayi Carm1-pending protein 0.0023 0.0191 0.1831
Entamoeba histolytica hypothetical protein 0.0065 0.1041 1
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0041 0.0562 0.1706
Loa Loa (eye worm) hypothetical protein 0.0019 0.0094 0.0903
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0041 0.0562 0.1706
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0041 0.0562 1
Schistosoma mansoni hypothetical protein 0.0023 0.0191 0.0579
Echinococcus granulosus deoxyribonuclease 1 0.0175 0.3294 0.3294
Echinococcus multilocularis roundabout 2 0.0019 0.0094 0.028
Echinococcus granulosus protein arginine methyltransferase 0.0041 0.0562 0.0562
Brugia malayi Protein arginine N-methyltransferase 0.0023 0.0191 0.1831
Loa Loa (eye worm) hypothetical protein 0.0019 0.0094 0.0903
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0065 0.1041 1
Echinococcus multilocularis deoxyribonuclease 0.0175 0.3294 0.9804
Echinococcus multilocularis deoxyribonuclease 0.0175 0.3294 0.9804
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0041 0.0562 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.012 0.1155
Loa Loa (eye worm) hypothetical protein 0.0065 0.1041 1
Echinococcus granulosus methyltransferase protein 5 0.0023 0.0191 0.0191
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0041 0.0562 0.1706
Loa Loa (eye worm) TK/KIN16 protein kinase 0.002 0.012 0.1155
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0041 0.0562 0.1672
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0041 0.0562 1
Leishmania major arginine N-methyltransferase-like protein 0.0041 0.0562 1
Echinococcus granulosus protein arginine N methyltransferase 7 0.0023 0.0191 0.0191
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0065 0.1041 1
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0023 0.0191 0.0567
Loa Loa (eye worm) Carm1-pending protein 0.0023 0.0191 0.1831
Schistosoma mansoni protein arginine n-methyltransferase 0.0023 0.0191 0.0579
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0041 0.0562 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.032 uM Inhibition of cfms ChEMBL. 17870531
IC50 (binding) = 0.032 uM Inhibition of cfms ChEMBL. 17870531
IC50 (functional) > 20 uM Growth inhibition of MCSF expressing mouse M-NSF60 cells ChEMBL. 17870531
IC50 (functional) > 20 uM Growth inhibition of MCSF-independent mouse NSO cells ChEMBL. 17870531
IC50 (functional) > 20 uM Growth inhibition of MCSF-independent mouse NSO cells ChEMBL. 17870531

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.