Detailed information for compound 982080

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.455 | Formula: C24H21N5O4
  • H donors: 2 H acceptors: 3 LogP: 0.79 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1[C@@H](C)N[C@H]2N1c1ccccc1[C@]12C[C@@H]2C(=O)N[C@@](O1)(C)c1n2c(=O)c2c(n1)cccc2
  • InChi: 1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17-,22+,23-,24+/m1/s1
  • InChiKey: POEYRUBMWIOMTB-NYGOOMQSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Presenilin family protein 0.0209 0.3755 0.3721
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0209 0.3755 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0462 0.9226 0.9222
Echinococcus multilocularis ecdysone induced protein 78C 0.0462 0.9226 0.9222
Brugia malayi steroid hormone receptor 0.0462 0.9226 0.9221
Brugia malayi Nuclear hormone receptor E75 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor-like 1 0.0244 0.4517 0.4487
Brugia malayi ecdysone receptor 0.0218 0.3952 0.392
Echinococcus granulosus FTZ F1 alpha 0.0462 0.9226 0.9222
Schistosoma mansoni hypothetical protein 0.0102 0.1442 0.1332
Brugia malayi Nuclear hormone receptor-like 1 0.0462 0.9226 0.9221
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0462 0.9226 0.9222
Brugia malayi hypothetical protein 0.0102 0.1442 0.1396
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0053 0.0002
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0462 0.9226 0.9221
Loa Loa (eye worm) presenilin spe-4 0.0073 0.0823 0.0774
Schistosoma mansoni retinoic acid receptor RXR 0.0462 0.9226 0.9216
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Schistosoma mansoni gamma-secretase subunit aph-1 0.0498 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0462 0.9226 0.9222
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor-like 1 0.0244 0.4517 0.4487
Toxoplasma gondii hypothetical protein 0.0073 0.0823 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0218 0.3952 0.3874
Echinococcus granulosus presenilin enhancer 2 0.0196 0.3478 0.3444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0462 0.9226 0.9221
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0462 0.9226 0.9221
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0059 0.0517 0.1259
Brugia malayi Presenilin-like protein At2g29900 0.0073 0.0823 0.0774
Schistosoma mansoni thyroid hormone receptor 0.0462 0.9226 0.9216
Echinococcus multilocularis Nicastrin 0.0102 0.1442 0.1398
Loa Loa (eye worm) nuclear hormone receptor 0.0218 0.3952 0.392
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0462 0.9226 0.9222
Brugia malayi photoreceptor-specific nuclear receptor 0.0462 0.9226 0.9221
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0462 0.9226 0.9222
Echinococcus granulosus nuclear receptor nhr 48 0.0218 0.3952 0.3921
Trypanosoma cruzi Aph-1 protein, putative 0.0194 0.3435 0.9136
Onchocerca volvulus Protein ultraspiracle homolog 0.0462 0.9226 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0218 0.3952 0.392
Onchocerca volvulus 0.0462 0.9226 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0218 0.3952 0.3874
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0462 0.9226 0.9221
Schistosoma mansoni coup transcription factor 0.0462 0.9226 0.9216
Brugia malayi hypothetical protein 0.0102 0.1442 0.1396
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0462 0.9226 0.9216
Echinococcus granulosus gamma secretase subunit aph 1 0.0498 1 1
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Brugia malayi orphan nuclear receptor NR2E1 0.0218 0.3952 0.392
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0462 0.9226 0.9222
Brugia malayi nuclear hormone receptor family member odr-7 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0462 0.9226 0.9221
Schistosoma mansoni thyroid hormone receptor 0.0462 0.9226 0.9216
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0244 0.4517 0.4489
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0462 0.9226 0.9221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Echinococcus granulosus Nicastrin 0.0102 0.1442 0.1398
Schistosoma mansoni nuclear hormone receptor 0.0218 0.3952 0.3874
Brugia malayi tailless protein 0.0218 0.3952 0.392
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0462 0.9226 0.9221
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0244 0.4517 0.4446
Brugia malayi nuclear hormone receptor 0.0218 0.3952 0.392
Echinococcus granulosus Nuclear hormone receptor HR96 0.0218 0.3952 0.3921
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0218 0.3952 0.3921
Schistosoma mansoni nuclear hormone receptor 0.0462 0.9226 0.9216
Brugia malayi nuclear receptor RXR 0.0244 0.4517 0.4487
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0462 0.9226 0.9222
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0218 0.3952 0.3921
Echinococcus multilocularis FTZ F1 alpha 0.0462 0.9226 0.9222
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0462 0.9226 0.9222
Schistosoma mansoni RAR-like nuclear receptor 0.0462 0.9226 0.9216
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0209 0.3755 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0462 0.9226 0.9216
Trypanosoma brucei Aph-1 protein, putative 0.0194 0.3435 0.9136
Trypanosoma cruzi Aph-1 protein, putative 0.0194 0.3435 0.9136
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0462 0.9226 0.9216
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Loa Loa (eye worm) steroid hormone receptor 0.0462 0.9226 0.9221
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0498 1 1
Brugia malayi hypothetical protein 0.0073 0.0823 0.0774
Schistosoma mansoni nuclear receptor nhr-48 0.0218 0.3952 0.3874
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0209 0.3755 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0218 0.3952 0.3921
Brugia malayi Steroid receptor seven-up type 2 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0196 0.3478 0.3443
Echinococcus granulosus presenilin 0.0209 0.3755 0.3723
Brugia malayi Presenilin spe-4 0.0073 0.0823 0.0774
Brugia malayi nuclear hormone receptor family member nhr-6 0.0218 0.3952 0.392
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0462 0.9226 0.9222
Trichomonas vaginalis Nicastrin precursor, putative 0.0102 0.1442 0.3841
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0244 0.4517 0.4446
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0462 0.9226 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi hypothetical protein 0.0073 0.0823 0.0774
Onchocerca volvulus Bile acid receptor homolog 0.0462 0.9226 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0462 0.9226 0.9221
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Schistosoma mansoni zinc finger protein 0.0218 0.3952 0.3874
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Echinococcus multilocularis Nicastrin 0.0102 0.1442 0.1398
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Echinococcus multilocularis gamma secretase subunit aph 1 0.0498 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0462 0.9226 0.9221
Brugia malayi ecdysteroid receptor 0.0462 0.9226 0.9221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0244 0.4517 0.4487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0462 0.9226 0.9221
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0218 0.3952 0.3921
Loa Loa (eye worm) hypothetical protein 0.0244 0.4517 0.4487
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0209 0.3755 1
Brugia malayi hypothetical protein 0.0218 0.3952 0.392
Loa Loa (eye worm) nuclear receptor NHR-67 0.0218 0.3952 0.392
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor E75 0.0218 0.3952 0.392
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0462 0.9226 0.9221
Brugia malayi gamma-secretase subunit pen-2 0.0196 0.3478 0.3443
Trichomonas vaginalis Nicastrin precursor, putative 0.0102 0.1442 0.3841
Schistosoma mansoni nuclear receptor 0.0218 0.3952 0.3874
Echinococcus multilocularis nuclear receptor nhr 48 0.0218 0.3952 0.3921
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0053 0.0002
Entamoeba histolytica presenilin 1 peptidase, putative 0.0209 0.3755 1
Brugia malayi Presenilin spe-4 0.0073 0.0823 0.0774
Echinococcus granulosus Nuclear hormone receptor HR96 0.0218 0.3952 0.3921
Loa Loa (eye worm) hypothetical protein 0.0244 0.4517 0.4487
Brugia malayi hypothetical protein 0.0218 0.3952 0.392
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0209 0.3755 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0462 0.9226 0.9222
Loa Loa (eye worm) hypothetical protein 0.0244 0.4517 0.4487
Brugia malayi hypothetical protein 0.0244 0.4517 0.4487
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0462 0.9226 0.9222
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0462 0.9226 0.9216
Echinococcus multilocularis presenilin enhancer 2 0.0196 0.3478 0.3444
Brugia malayi nuclear receptor NHR-88 0.0218 0.3952 0.392
Echinococcus multilocularis presenilin 0.0209 0.3755 0.3723
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0462 0.9226 0.9222
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0209 0.3755 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0462 0.9226 0.9221
Brugia malayi Presenilin spe-4 0.0073 0.0823 0.0774
Brugia malayi nuclear hormone receptor 0.0462 0.9226 0.9221
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0218 0.3952 0.3921
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0209 0.3755 1
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0218 0.3952 0.3921
Loa Loa (eye worm) hypothetical protein 0.0462 0.9226 0.9221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0218 0.3952 0.3921
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0218 0.3952 0.392
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0462 0.9226 0.9216
Brugia malayi nuclear receptor NHR-88 0.0462 0.9226 0.9221
Schistosoma mansoni nuclear hormone receptor 0.0218 0.3952 0.3874
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0218 0.3952 0.3921
Schistosoma mansoni nuclear receptor 0.0218 0.3952 0.3874
Brugia malayi conserved hypotetical protein 0.0218 0.3952 0.392
Echinococcus multilocularis thyroid hormone receptor alpha 0.0462 0.9226 0.9222
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Brugia malayi hypothetical protein 0.0244 0.4517 0.4487
Loa Loa (eye worm) hypothetical protein 0.0244 0.4517 0.4487
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0462 0.9226 0.9222
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0462 0.9226 0.9216
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0462 0.9226 0.9221
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0244 0.4517 0.4489
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0462 0.9226 0.9221
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Loa Loa (eye worm) DR-78 0.0218 0.3952 0.392
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0244 0.4517 0.4487
Brugia malayi hypothetical protein 0.0073 0.0823 0.0774
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0462 0.9226 0.9221
Brugia malayi nuclear receptor RXR 0.0218 0.3952 0.392
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0462 0.9226 0.9216
Loa Loa (eye worm) hypothetical protein 0.0102 0.1442 0.1396
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0462 0.9226 0.9221
Brugia malayi nuclear receptor NHR-67 0.0218 0.3952 0.392
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0209 0.3755 0.3674
Loa Loa (eye worm) hypothetical protein 0.0218 0.3952 0.392
Echinococcus granulosus ecdysone induced protein 78C 0.0462 0.9226 0.9222

Activities

No activities found for this compound.

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

No literature references available for this target.

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