Detailed information for compound 29087

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.467 | Formula: C23H27N
  • H donors: 0 H acceptors: 0 LogP: 4.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C1c2cc(CC)ccc2C2=C1CN(C)CC2
  • InChi: 1S/C23H27N/c1-4-16-6-9-18(10-7-16)23-21-14-17(5-2)8-11-19(21)20-12-13-24(3)15-22(20)23/h6-11,14,23H,4-5,12-13,15H2,1-3H3
  • InChiKey: BJLBDDZNGBILHF-UHFFFAOYSA-N  

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
Onchocerca volvulus Protein ultraspiracle homolog 0.007 0.051 0.1592
Echinococcus multilocularis ras gtpase 0.0293 0.3511 0.3504
Plasmodium falciparum topoisomerase I 0.0208 0.2372 1
Trichomonas vaginalis GTP-binding protein rit, putative 0.0293 0.3511 0.8755
Mycobacterium tuberculosis Probable reductase 0.0097 0.087 0.3997
Schistosoma mansoni aryl hydrocarbon receptor 0.0055 0.0301 0.029
Onchocerca volvulus 0.007 0.051 0.1592
Echinococcus granulosus thyroid hormone receptor alpha 0.0033 0.0011 0.0011
Trypanosoma brucei unspecified product 0.0038 0.0082 0.0124
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.007 0.051 0.05
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.0109
Brugia malayi Ras protein let-60 0.0293 0.3511 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0207 0.0176
Mycobacterium tuberculosis Probable oxidoreductase 0.0108 0.1016 0.4791
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0207 0.0176
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.087 0.3997
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0017 0.0006
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0137 0.036
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.007 0.051 0.051
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Treponema pallidum fructose-bisphosphate aldolase 0.0328 0.3985 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0137 0.0512
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.051 0.1427
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0017 0.0006
Onchocerca volvulus 0.004 0.011 0.0314
Echinococcus granulosus nuclear receptor nhr 48 0.0033 0.0011 0.0011
Echinococcus granulosus DNA topoisomerase 1 0.0208 0.2372 0.2372
Brugia malayi PAS domain containing protein 0.0055 0.0301 0.0828
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0082 0.0124
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.087 0.3997
Brugia malayi Nuclear hormone receptor family member nhr-14 0.007 0.051 0.1427
Echinococcus granulosus Nuclear hormone receptor HR96 0.0033 0.0011 0.0011
Brugia malayi Thioredoxin reductase 0.0042 0.0137 0.036
Brugia malayi hypothetical protein 0.0037 0.0065 0.0153
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.0109
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0017 0.0006
Loa Loa (eye worm) steroid hormone receptor 0.007 0.051 0.1427
Schistosoma mansoni thyroid hormone receptor 0.007 0.051 0.05
Schistosoma mansoni DNA topoisomerase type I 0.0208 0.2372 0.2364
Leishmania major DNA topoisomerase type IB small subunit 0.0052 0.0271 0.0334
Echinococcus granulosus ras gtpase 0.0293 0.3511 0.3511
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.007 0.051 0.1427
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0156 0.1667 0.3989
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.1727 0.4134
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0207 0.043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.007 0.051 0.1427
Schistosoma mansoni single-minded 0.0055 0.0301 0.029
Trichomonas vaginalis rheb, putative 0.0293 0.3511 0.8755
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.007 0.051 0.05
Plasmodium vivax glutathione reductase, putative 0.0042 0.0137 0.0512
Mycobacterium ulcerans hypothetical protein 0.0178 0.1971 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0153
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Echinococcus granulosus FTZ F1 alpha 0.007 0.051 0.051
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.051 0.05
Loa Loa (eye worm) Ras protein let-60 0.0293 0.3511 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.007 0.051 0.05
Brugia malayi steroid hormone receptor 0.007 0.051 0.1427
Brugia malayi Pre-SET motif family protein 0.0233 0.2712 0.7718
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0037 0.0065 0.0065
Echinococcus granulosus dna polymerase kappa 0.0046 0.0181 0.0181
Schistosoma mansoni RAR-like nuclear receptor 0.007 0.051 0.05
Brugia malayi Nuclear hormone receptor family member nhr-49 0.007 0.051 0.1427
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0052 0.0271 0.0584
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0156 0.1667 0.383
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.051 0.1427
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.007 0.051 0.05
Echinococcus multilocularis transfer RNA-Lys 0.004 0.011 0.0099
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0065 0.0153
Brugia malayi ecdysteroid receptor 0.007 0.051 0.1427
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.007 0.051 0.051
Brugia malayi Nuclear hormone receptor family member nhr-31 0.007 0.051 0.1427
Echinococcus multilocularis microtubule associated protein 2 0.0774 1 1
Brugia malayi Pre-SET motif family protein 0.0033 0.0017 0.0016
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0181 0.0383
Brugia malayi hypoxia-induced factor 1 0.0169 0.1842 0.5231
Echinococcus granulosus Nuclear hormone receptor HR96 0.0033 0.0011 0.0011
Leishmania major mitochondrial DNA polymerase beta 0.0339 0.4132 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.4132 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0169 0.1842 0.5231
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Loa Loa (eye worm) hypothetical protein 0.0033 0.0017 0.0016
Brugia malayi glutathione reductase 0.0042 0.0137 0.036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Echinococcus multilocularis DNA topoisomerase 1 0.0208 0.2372 0.2364
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Toxoplasma gondii DNA topoisomerase I, putative 0.0208 0.2372 1
Trichomonas vaginalis dexras1, putative 0.0293 0.3511 0.8755
Schistosoma mansoni Tr4/Tr2 (homologue) 0.007 0.051 0.05
Trichomonas vaginalis ras-dva small GTPase, putative 0.0293 0.3511 0.8755
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.007 0.051 0.05
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0033 0.0011 0.0011
Schistosoma mansoni DNA topoisomerase type I 0.0156 0.1667 0.1658
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.051 0.1427
Echinococcus multilocularis ecdysone induced protein 78C 0.007 0.051 0.05
Trichomonas vaginalis ral, putative 0.0293 0.3511 0.8755
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0145 0.0134
Schistosoma mansoni retinoic acid receptor RXR 0.007 0.051 0.05
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0037 0.0065 0.0054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0011 0.0011
Onchocerca volvulus 0.0033 0.0017 0.0018
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0037 0.0065 0.0054
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.007 0.051 0.05
Brugia malayi Ras-related protein R-Ras2 0.0293 0.3511 1
Brugia malayi nuclear hormone receptor 0.007 0.051 0.1427
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.087 0.3997
Loa Loa (eye worm) DNA topoisomerase I 0.0208 0.2372 0.6747
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.1724 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0017 0.0006
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0339 0.4132 1
Brugia malayi polk-prov protein 0.0035 0.0031 0.0058
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.2712 0.7718
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0108 0.1016 0.1705
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0348 0.0527
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0181 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.007 0.051 0.1427
Onchocerca volvulus 0.0266 0.3147 1
Loa Loa (eye worm) glutathione reductase 0.0042 0.0137 0.036
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0153
Schistosoma mansoni nuclear hormone receptor 0.007 0.051 0.05
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.4132 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0017 0.0017
Echinococcus granulosus ecdysone induced protein 78C 0.007 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0065 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-3 0.007 0.051 0.1427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.007 0.051 0.1427
Brugia malayi nuclear receptor RXR 0.0037 0.0065 0.0153
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0031 0.0058
Trichomonas vaginalis rap1 and, putative 0.0293 0.3511 0.8755
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.087 0.3997
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.007 0.051 0.1427
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.051 0.1427
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0207 0.0176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.007 0.051 0.1427
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.051 0.1427
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.0109
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0108 0.1016 0.4791
Echinococcus multilocularis FTZ F1 alpha 0.007 0.051 0.05
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.087 0.3997
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0017 0.0006
Loa Loa (eye worm) hypothetical protein 0.0183 0.2033 0.5777
Leishmania major DNA topoisomerase IB, large subunit 0.0156 0.1667 0.383
Toxoplasma gondii hypothetical protein 0.0055 0.0302 0.1211
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Trichomonas vaginalis set domain proteins, putative 0.0266 0.3147 0.7798
Brugia malayi hypothetical protein 0.0183 0.2033 0.5777
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.007 0.051 0.05
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.007 0.051 0.1427
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0153
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Brugia malayi Nuclear hormone receptor family member nhr-1 0.007 0.051 0.1427
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.1727 0.3978
Schistosoma mansoni steroid hormone receptor ad4bp 0.007 0.051 0.05
Trypanosoma brucei trypanothione reductase 0.0042 0.0137 0.0258
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.3985 1
Toxoplasma gondii thioredoxin reductase 0.0042 0.0137 0.0512
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0017 0.0006
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0052 0.0271 0.0334
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-41 0.007 0.051 0.1427
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.1727 0.3978
Plasmodium vivax topoisomerase I, putative 0.0208 0.2372 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.3985 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.007 0.051 0.051
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.051 0.051
Onchocerca volvulus Bile acid receptor homolog 0.007 0.051 0.1592
Brugia malayi Steroid receptor seven-up type 2 0.007 0.051 0.1427
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0065 0.0153
Brugia malayi hypothetical protein 0.0037 0.0065 0.0153
Schistosoma mansoni coup transcription factor 0.007 0.051 0.05
Echinococcus multilocularis thyroid hormone receptor alpha 0.007 0.051 0.05
Brugia malayi DNA topoisomerase I 0.0208 0.2372 0.6747
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0293 0.3511 1
Brugia malayi photoreceptor-specific nuclear receptor 0.007 0.051 0.1427
Echinococcus granulosus retinoic acid receptor rxr beta a 0.007 0.051 0.051
Schistosoma mansoni microtubule-associated protein tau 0.0774 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.1724 0.8675
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.051 0.1427
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.007 0.051 0.05
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.051 0.05
Brugia malayi nuclear receptor NHR-88 0.007 0.051 0.1427
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.051 0.1427
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0108 0.1016 0.4791
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0181 0.0365
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.007 0.051 0.051
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.0365
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0153
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0037 0.0065 0.0153
Echinococcus multilocularis dna polymerase kappa 0.0046 0.0181 0.017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.051 0.05
Echinococcus granulosus single minded 2 0.004 0.011 0.011
Giardia lamblia Fructose-bisphosphate aldolase 0.0328 0.3985 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.051 0.1427
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0181 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-40 0.007 0.051 0.1427
Brugia malayi bHLH-PAS transcription factor 0.004 0.011 0.0282
Schistosoma mansoni DNA topoisomerase type I 0.0156 0.1667 0.1658
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.1724 0.8655
Loa Loa (eye worm) hypothetical protein 0.0037 0.0065 0.0153
Schistosoma mansoni thyroid hormone receptor 0.007 0.051 0.05
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.3985 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0178 0.1971 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.007 0.051 0.1592

Activities

Activity type Activity value Assay description Source Reference
Survival (functional) = 0 % In vivo activity of compound at 40 mg/kg in 48/80 challenge expressed as number of mice surviving for more than 240 min; 0/2 ChEMBL. 10866399
Survival (functional) = 0 % In vivo activity of compound at 10 mg/kg in 48/80 challenge expressed as number of mice surviving for more than 240 min; 0/2 ChEMBL. 10866399
Survival (functional) = 0 % In vivo activity of compound at 40 mg/kg in 48/80 challenge expressed as number of mice surviving for more than 240 min; 0/2 ChEMBL. 10866399
Survival (functional) = 0 % In vivo activity of compound at 10 mg/kg in 48/80 challenge expressed as number of mice surviving for more than 240 min; 0/2 ChEMBL. 10866399

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.

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