Detailed information for compound 326314

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.632 | Formula: C27H40N4O2
  • H donors: 2 H acceptors: 2 LogP: 4.85 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCN(C(=O)c1ccc([nH]1)c1ccccc1)C(C(=O)NC1CCCCC1)C)CC
  • InChi: 1S/C27H40N4O2/c1-4-30(5-2)19-12-20-31(21(3)26(32)28-23-15-10-7-11-16-23)27(33)25-18-17-24(29-25)22-13-8-6-9-14-22/h6,8-9,13-14,17-18,21,23,29H,4-5,7,10-12,15-16,19-20H2,1-3H3,(H,28,32)
  • InChiKey: AOJOWVZKOSBKPY-UHFFFAOYSA-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 growth hormone secretagogue receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni rhodopsin-like orphan GPCR growth hormone secretagogue receptor 289 aa 243 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum glutathione reductase 0.0164 0.2569 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0057 0.0689 0.1194
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Toxoplasma gondii thioredoxin reductase 0.0164 0.2569 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0416 0.6986 1
Brugia malayi Heterochromatin protein 1 0.0078 0.1053 0.1479
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0223 0.3595 0.3472
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Entamoeba histolytica hypothetical protein 0.0125 0.1881 0.5233
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0057 0.0689 0.2021
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0455 0.0436
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Brugia malayi serine/threonine-protein kinase plk-2 0.0223 0.3595 0.5148
Onchocerca volvulus Serine\/threonine kinase homolog 0.0223 0.3595 1
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.0473 0.0471
Schistosoma mansoni hypothetical protein 0.0055 0.0652 0.0474
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0375 0.6254 0.8837
Brugia malayi MH1 domain containing protein 0.0028 0.0188 0.0229
Echinococcus granulosus thioredoxin glutathione reductase 0.0164 0.2569 0.2427
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0034 0.0296 0.011
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1624 0.2726
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0455 0.0498
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.0652 0.0474
Loa Loa (eye worm) RecQ helicase 0.0083 0.1153 0.1408
Brugia malayi glutaminase DH11.1 0.0322 0.5338 0.7665
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0057 0.0689 0.0512
Echinococcus multilocularis chromobox protein 1 0.0078 0.1053 0.0882
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0223 0.3595 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0045 0.0473 0.0768
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0173 0.2725 0.3702
Loa Loa (eye worm) hypothetical protein 0.0034 0.0296 0.0158
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0057 0.0689 0.1408
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Brugia malayi Calcitonin receptor-like protein seb-1 0.0173 0.2725 0.3893
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0055 0.0652 0.0474
Trichomonas vaginalis chromobox protein, putative 0.0078 0.1053 0.1607
Echinococcus granulosus chromobox protein 1 0.0078 0.1053 0.0882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0637 0.0458
Echinococcus multilocularis GPCR, family 2 0.0055 0.0652 0.0474
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0416 0.6986 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0375 0.6254 0.8837
Brugia malayi Latrophilin receptor protein 2 0.0055 0.0652 0.09
Schistosoma mansoni hypothetical protein 0.0055 0.0652 0.0474
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0057 0.0689 0.2021
Plasmodium vivax thioredoxin reductase, putative 0.0164 0.2569 1
Leishmania major trypanothione reductase 0.0164 0.2569 0.6967
Schistosoma mansoni DNA helicase recq5 0.0034 0.0296 0.011
Brugia malayi Thioredoxin reductase 0.0164 0.2569 0.3668
Plasmodium falciparum glutathione reductase 0.0057 0.0689 0.2021
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Loa Loa (eye worm) hypothetical protein 0.0034 0.029 0.015
Treponema pallidum NADH oxidase 0.0057 0.0689 0.5
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0057 0.0689 0.1408
Plasmodium falciparum thioredoxin reductase 0.0057 0.0689 0.2021
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Schistosoma mansoni transcription factor LCR-F1 0.0125 0.1881 0.1726
Brugia malayi Bloom's syndrome protein homolog 0.0083 0.1153 0.1623
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0637 0.0656
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.1053 0.1262
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0057 0.0689 0.2684
Onchocerca volvulus 0.0168 0.2643 0.7119
Echinococcus granulosus bloom syndrome protein 0.0083 0.1153 0.0984
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0057 0.0689 0.2021
Trypanosoma cruzi polo-like protein kinase, putative 0.0223 0.3595 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.2725 0.3702
Entamoeba histolytica hypothetical protein 0.0125 0.1881 0.5233
Entamoeba histolytica recQ family helicase, putative 0.0045 0.0473 0.1316
Loa Loa (eye worm) hypothetical protein 0.0168 0.2643 0.3581
Plasmodium falciparum thioredoxin reductase 0.0164 0.2569 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0125 0.1881 0.1726
Schistosoma mansoni hypothetical protein 0.0055 0.0652 0.0474
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0223 0.3595 0.3472
Brugia malayi MH2 domain containing protein 0.0415 0.6955 1
Brugia malayi MH2 domain containing protein 0.0028 0.0188 0.0229
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0055 0.0652 0.0474
Trichomonas vaginalis mercuric reductase, putative 0.0057 0.0689 0.0895
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0057 0.0689 0.0512
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0045 0.0473 0.0768
Schistosoma mansoni glutaminase 0.0322 0.5338 0.5249
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0057 0.0689 0.1408
Brugia malayi hypothetical protein 0.0125 0.1881 0.2675
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0042 0.0425 0.0572
Trypanosoma cruzi polo-like protein kinase, putative 0.0223 0.3595 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0125 0.1881 0.1726
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0034 0.0296 0.0385
Trypanosoma brucei polo-like protein kinase 0.0223 0.3595 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0637 0.0458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0637 0.0458
Loa Loa (eye worm) hypothetical protein 0.003 0.0213 0.0038
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0213 0.083
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0034 0.0296 0.115
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0416 0.6986 1
Brugia malayi latrophilin 2 splice variant baaae 0.0118 0.1766 0.2508
Loa Loa (eye worm) hypothetical protein 0.0118 0.1766 0.2302
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0637 0.0458
Loa Loa (eye worm) hypothetical protein 0.042 0.7043 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0057 0.0689 0.5
Schistosoma mansoni DNA helicase recq1 0.0034 0.0296 0.011
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0045 0.0473 0.0768
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0056 0.068 0.1982
Loa Loa (eye worm) glutaminase 2 0.0322 0.5338 0.7513
Trichomonas vaginalis glutathione reductase, putative 0.0057 0.0689 0.0895
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.0652 0.09
Trichomonas vaginalis DNA helicase recq1, putative 0.0083 0.1153 0.1803
Schistosoma mansoni hypothetical protein 0.0055 0.0652 0.0474
Loa Loa (eye worm) glutaminase 0.0322 0.5338 0.7513
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0034 0.0296 0.0349
Loa Loa (eye worm) thioredoxin reductase 0.0164 0.2569 0.3474
Schistosoma mansoni hypothetical protein 0.0589 1 1
Trichomonas vaginalis chromobox protein, putative 0.0078 0.1053 0.1607
Brugia malayi Smad1 0.0028 0.0188 0.0229
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0057 0.0689 0.0512
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0223 0.3595 0.497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0637 0.0458
Entamoeba histolytica serine/threonine protein kinase, putative 0.0223 0.3595 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0034 0.0296 0.115
Mycobacterium tuberculosis Probable reductase 0.0375 0.6254 0.8837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Echinococcus granulosus GPCR family 2 0.0055 0.0652 0.0474
Brugia malayi chromobox protein homolog 3 0.0044 0.0455 0.0616
Trypanosoma brucei trypanothione reductase 0.0164 0.2569 0.6967
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Trichomonas vaginalis glutaminase, putative 0.0322 0.5338 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0057 0.0689 0.1408
Trypanosoma cruzi trypanothione reductase, putative 0.0164 0.2569 0.6967
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.0652 0.0474
Brugia malayi MH2 domain containing protein 0.0028 0.0188 0.0229
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0057 0.0689 0.0954
Loa Loa (eye worm) glutathione reductase 0.0164 0.2569 0.3474
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0513 0.0549
Schistosoma mansoni chromobox protein 0.0078 0.1053 0.0882
Echinococcus granulosus chromobox protein 1 0.0078 0.1053 0.0882
Schistosoma mansoni serine/threonine protein kinase 0.0223 0.3595 0.3472
Loa Loa (eye worm) MH2 domain-containing protein 0.0415 0.6955 0.9871
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0375 0.6254 0.8837
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0057 0.0689 0.1408
Echinococcus multilocularis geminin 0.0589 1 1
Brugia malayi glutathione reductase 0.0164 0.2569 0.3668
Schistosoma mansoni chromobox protein 0.0078 0.1053 0.0882
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0057 0.0689 0.1408
Loa Loa (eye worm) hypothetical protein 0.0055 0.0652 0.0678
Schistosoma mansoni hypothetical protein 0.0589 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0042 0.0425 0.0572
Schistosoma mansoni blooms syndrome DNA helicase 0.0066 0.0846 0.0671
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0689 0.1408
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0034 0.0296 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0073 0.0976 0.3236
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0637 0.0458
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.0652 0.0678
Loa Loa (eye worm) hypothetical protein 0.0044 0.0455 0.039
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1624 0.2726
Giardia lamblia Kinase, PLK 0.0223 0.3595 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0164 0.2569 0.2427
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0034 0.0296 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0637 0.0458
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0173 0.2725 0.3893
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0057 0.0689 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0057 0.0689 0.2684
Mycobacterium tuberculosis Probable dehydrogenase 0.0375 0.6254 0.8837
Plasmodium vivax glutathione reductase, putative 0.0164 0.2569 1
Trichomonas vaginalis DNA helicase recq, putative 0.0083 0.1153 0.1803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0057 0.0689 0.1408
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0455 0.0436
Mycobacterium tuberculosis Probable oxidoreductase 0.0416 0.6986 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0034 0.0296 0.011
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0375 0.6254 0.8837
Entamoeba histolytica hypothetical protein 0.0125 0.1881 0.5233
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0034 0.0296 0.0385
Loa Loa (eye worm) transcription factor SMAD2 0.0415 0.6955 0.9871
Brugia malayi hypothetical protein 0.003 0.0213 0.0266
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0057 0.0689 0.1408
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0513 0.0674
Schistosoma mansoni hypothetical protein 0.0125 0.1881 0.1726
Brugia malayi hypothetical protein 0.0168 0.2643 0.3774
Echinococcus multilocularis chromobox protein 1 0.0078 0.1053 0.0882
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0057 0.0689 0.2021
Entamoeba histolytica hypothetical protein 0.0125 0.1881 0.5233
Trichomonas vaginalis CAMK family protein kinase 0.0223 0.3595 0.6585
Echinococcus multilocularis bloom syndrome protein 0.0083 0.1153 0.0984
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0689 0.1408
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0057 0.0689 0.5
Schistosoma mansoni kinase 0.0113 0.1676 0.1517
Brugia malayi MH1 domain containing protein 0.0028 0.0188 0.0229
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0637 0.0879
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0056 0.0668 0.2602
Schistosoma mansoni hypothetical protein 0.0118 0.1766 0.1608
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0164 0.2569 0.2985
Mycobacterium ulcerans glutaminase 0.0322 0.5338 1
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0513 0.0549
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0034 0.0296 0.011

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.96 Tested for growth hormone secretagogue activity in A93 cell line using a calcium flux assay at 10 uM (Relative to compound T1) ChEMBL. 15294000
Activity (functional) = 0.96 Tested for growth hormone secretagogue activity in A93 cell line using a calcium flux assay at 10 uM (Relative to compound T1) ChEMBL. 15294000
Ki (binding) = 1.92 uM Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin ChEMBL. 15294000
Ki (binding) = 1.92 uM Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin ChEMBL. 15294000

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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