Detailed information for compound 1824101

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.466 | Formula: C19H28N6
  • H donors: 3 H acceptors: 3 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNc1ncc(c(n1)N[C@@H]1CC[C@H](CC1)N)c1ccccn1
  • InChi: 1S/C19H28N6/c1-2-3-11-22-19-23-13-16(17-6-4-5-12-21-17)18(25-19)24-15-9-7-14(20)8-10-15/h4-6,12-15H,2-3,7-11,20H2,1H3,(H2,22,23,24,25)/t14-,15-
  • InChiKey: JNYMZWUOQWXOII-SHTZXODSSA-N  


Substructure search Similarity search

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 AXL receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens MER proto-oncogene, tyrosine kinase Starlite/ChEMBL References
Homo sapiens TYRO3 protein tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_132328 All targets in OG5_132328
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
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.2018 0.1997
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0018 0.0957 0.0957
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.2077 0.2077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.2018 0.1997
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0017 0.0841 0.0841
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0815 0.079
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.2077 0.1374
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0021 0.2018 0.2018
Brugia malayi conserved hypotetical protein 0.0021 0.2018 0.131
Echinococcus multilocularis roundabout 2 0.0021 0.2077 0.2077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2077 0.2056
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Schistosoma mansoni RAR-like nuclear receptor 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.2873 0.2241
Echinococcus granulosus roundabout 2 0.0032 0.595 0.595
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0018 0.0957 0.0957
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0017 0.0841 0.0841
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0021 0.2077 0.2056
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0021 0.2077 0.2077
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0815 0.079
Schistosoma mansoni nephrin 0.0021 0.2077 0.1374
Brugia malayi ecdysone receptor 0.0021 0.2018 0.131
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0021 0.2018 0.2018
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.2018 0.2018
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.2018 0.131
Brugia malayi hypothetical protein 0.0021 0.2018 0.131
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 1 1
Echinococcus multilocularis roundabout 2 0.0032 0.595 0.595
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Schistosoma mansoni thyroid hormone receptor 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0815 0.079
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0021 0.2018 0.131
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0021 0.2018 0.131
Brugia malayi Fibronectin type III domain containing protein 0.0025 0.3451 0.287
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 1 1
Schistosoma mansoni nuclear receptor 0.0021 0.2018 0.131
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.2873 0.2241
Brugia malayi hypothetical protein 0.0023 0.2873 0.2241
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.2018 0.131
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.2018 0.2018
Schistosoma mansoni nuclear receptor nhr-48 0.0021 0.2018 0.131
Brugia malayi hypothetical protein 0.0021 0.2018 0.131
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0815 0.079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 1 1
Echinococcus granulosus roundabout 2 0.0021 0.2077 0.2077
Schistosoma mansoni ephrin receptor 0.0018 0.0957 0.0155
Brugia malayi nuclear hormone receptor 0.0021 0.2018 0.131
Loa Loa (eye worm) hypothetical protein 0.0018 0.1263 0.124
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 1 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0021 0.2077 0.2056
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.2873 0.2241
Brugia malayi nuclear receptor RXR 0.0021 0.2018 0.131
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.2018 0.131
Brugia malayi Nuclear hormone receptor-like 1 0.0044 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0019 0.1404 0.1382
Brugia malayi tailless protein 0.0021 0.2018 0.131
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 1 1
Echinococcus granulosus roundabout 2 0.0021 0.2077 0.2077
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.2077 0.1374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 1 1
Echinococcus granulosus titin 0.0017 0.0815 0.0815
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.3451 0.287
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0815 0.0815
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Onchocerca volvulus 0.0021 0.2018 0.131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 1 1
Brugia malayi Nuclear hormone receptor E75 0.0021 0.2018 0.131
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0841 0.0029
Echinococcus multilocularis titin 0.0017 0.0815 0.0815
Schistosoma mansoni nuclear receptor 0.0021 0.2018 0.131
Loa Loa (eye worm) hypothetical protein 0.0023 0.2873 0.2854
Schistosoma mansoni cell adhesion molecule 0.0028 0.4714 0.4245
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 1 1
Brugia malayi nuclear hormone receptor 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.2873 0.2854
Loa Loa (eye worm) DR-78 0.0021 0.2018 0.1997
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0021 0.2077 0.2077
Echinococcus granulosus thyroid hormone receptor alpha 0.0021 0.2018 0.2018
Echinococcus multilocularis transfer RNA-Phe 0.0017 0.0815 0.0815
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0021 0.2018 0.131
Brugia malayi Nuclear hormone receptor E75 0.0021 0.2018 0.131
Echinococcus granulosus nephrin 0.0017 0.0815 0.0815
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.1404 0.0642
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Schistosoma mansoni zinc finger protein 0.0021 0.2018 0.131
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.2077 0.1374
Onchocerca volvulus 0.0021 0.2018 0.131
Loa Loa (eye worm) hypothetical protein 0.0025 0.3451 0.3434
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.2018 0.1997
Brugia malayi nuclear receptor NHR-88 0.0021 0.2018 0.131
Onchocerca volvulus Bile acid receptor homolog 0.0044 1 1
Brugia malayi nuclear receptor NHR-67 0.0021 0.2018 0.131
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.2873 0.2241
Schistosoma mansoni cell adhesion molecule 0.0021 0.2077 0.1374
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Loa Loa (eye worm) hypothetical protein 0.0025 0.3451 0.3434
Brugia malayi hypothetical protein 0.0023 0.2873 0.2241
Echinococcus granulosus FTZ F1 alpha 0.0044 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0021 0.2018 0.2018
Loa Loa (eye worm) hypothetical protein 0.0023 0.2873 0.2854
Echinococcus multilocularis roundabout 2 0.0021 0.2077 0.2077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0815 0.079
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.2018 0.2018
Onchocerca volvulus 0.0044 1 1
Brugia malayi hypothetical protein 0.0025 0.3451 0.287
Loa Loa (eye worm) hypothetical protein 0.0023 0.2873 0.2854
Echinococcus multilocularis neuroglian 0.0021 0.2077 0.2077
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0044 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.2018 0.2018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.2873 0.2873
Schistosoma mansoni thyroid hormone receptor 0.0044 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.2873 0.2873
Loa Loa (eye worm) steroid hormone receptor 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.2018 0.131
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.2018 0.2018
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0841 0.0817
Echinococcus granulosus titin 0.0017 0.0815 0.0815
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0021 0.2018 0.131
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.2077 0.1374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 1 1
Brugia malayi nuclear receptor NHR-88 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.2077 0.2077
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.2873 0.2854
Echinococcus multilocularis nuclear receptor nhr 48 0.0021 0.2018 0.2018
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.2077 0.2077
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.2018 0.131
Loa Loa (eye worm) projectin 0.0017 0.0815 0.079
Brugia malayi Steroid receptor seven-up type 2 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2018 0.1997
Schistosoma mansoni nuclear hormone receptor 0.0044 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0044 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 1 1
Loa Loa (eye worm) CAMK protein kinase 0.0017 0.0815 0.079
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 1 1
Schistosoma mansoni nephrin 0.0028 0.4687 0.4216
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Schistosoma mansoni coup transcription factor 0.0044 1 1
Brugia malayi steroid hormone receptor 0.0044 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 1 1
Schistosoma mansoni neuroglian 0.0021 0.2077 0.1374
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 1 1
Brugia malayi nuclear receptor RXR 0.0023 0.2873 0.2241
Echinococcus granulosus neuroglian 0.0021 0.2077 0.2077
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 1 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.2018 0.131
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 1 1
Schistosoma mansoni cell adhesion molecule 0.0021 0.2077 0.1374
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0017 0.0815 0.079
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.2018 0.2018
Loa Loa (eye worm) hypothetical protein 0.0018 0.1263 0.124
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 1 1
Echinococcus granulosus contactin 0.0021 0.2077 0.2077
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0021 0.2018 0.2018
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.2873 0.2854
Loa Loa (eye worm) hypothetical protein 0.0025 0.3451 0.3434

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.8 nM Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay ChEMBL. 24195762
IC50 (binding) = 84 nM Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay ChEMBL. 24195762
IC50 (binding) = 550 nM Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay ChEMBL. 24195762

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.