Detailed information for compound 349896

Basic information

Technical information
  • TDR Targets ID: 349896
  • Name: (6aS,8R,12bS)-6-N-[3-[4-(3-aminopropylamino)b utylamino]propyl]-9-N,6a,8-trimethyl-8,12b-di hydro-7H-benzo[k]phenanthridine-6,9-diamine
  • MW: 490.726 | Formula: C30H46N6
  • H donors: 5 H acceptors: 0 LogP: 3.87 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNCCCCNCCCNC1=Nc2ccccc2[C@H]2[C@]1(C)C[C@@H](C)c1c2cccc1NC
  • InChi: 1S/C30H46N6/c1-22-21-30(2)28(24-12-8-14-26(32-3)27(22)24)23-11-4-5-13-25(23)36-29(30)35-20-10-19-34-17-7-6-16-33-18-9-15-31/h4-5,8,11-14,22,28,32-34H,6-7,9-10,15-21,31H2,1-3H3,(H,35,36)/t22-,28-,30+/m1/s1
  • InChiKey: KYHHMZYIGABUMK-BOGJOCPPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6aS,8R,12bS)-N6-[3-[4-(3-aminopropylamino)butylamino]propyl]-N9,6a,8-trimethyl-8,12b-dihydro-7H-benzo[k]phenanthridine-6,9-diamine
  • (6aS,8R,12bS)-N6-[3-[4-(3-azanylpropylamino)butylamino]propyl]-N9,6a,8-trimethyl-8,12b-dihydro-7H-benzo[k]phenanthridine-6,9-diamine
  • [(6aS,8R,12bS)-6a,8-dimethyl-9-(methylamino)-8,12b-dihydro-7H-benzo[k]phenanthridin-6-yl]-[3-[4-(3-aminopropylamino)butylamino]propyl]amine
  • (6aS,8R,12bS)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N',6a,8-trimethyl-8,12b-dihydro-7H-benzo[k]phenanthridine-6,9-diamine
  • [(6aS,8R,12bS)-6a,8-dimethyl-9-methylamino-8,12b-dihydro-7H-benzo[k]phenanthridin-6-yl]-[3-[4-(3-aminopropylamino)butylamino]propyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Phosphodiesterase 1 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
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic Phosphodiesterase 1   530 aa 488 aa 45.9 %
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic Phosphodiesterase 1   530 aa 478 aa 48.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Dopamine receptor protein 1 0.0182 0.075 0.075
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.0358 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.0358 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni opsin-like receptor 0.0182 0.075 0.085
Echinococcus multilocularis G protein coupled receptor 139 0.0182 0.075 0.085
Loa Loa (eye worm) TYRA-2 protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Schistosoma mansoni hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis neuropeptides capa receptor 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0182 0.075 0.085
Brugia malayi Tachykinin-like peptides receptor 99D 0.0182 0.075 0.075
Echinococcus granulosus sex peptide receptor 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Schistosoma mansoni opsin-like receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni amine GPCR 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Schistosoma mansoni amine GPCR 0.0182 0.075 0.085
Echinococcus multilocularis serotonin receptor 0.1794 0.8826 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Schistosoma mansoni amine GPCR 0.0182 0.075 0.085
Schistosoma mansoni neuropeptide F-like receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0214 0.0912 0.1033
Echinococcus multilocularis neuropeptide receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis neuropeptides capa receptor 0.0182 0.075 0.085
Schistosoma mansoni voltage-gated potassium channel 0.0121 0.0445 0.0504
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0568 0.2685 0.3042
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0182 0.075 0.085
Brugia malayi larval opioid receptor 0.0182 0.075 0.075
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Schistosoma mansoni growth hormone secretagogue receptor 0.0182 0.075 0.085
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0182 0.075 0.085
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0182 0.075 0.075
Brugia malayi G protein-coupled receptor 0.0182 0.075 0.075
Brugia malayi neuropeptide F receptor 0.0182 0.075 0.075
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine receptor 0.0182 0.075 0.085
Schistosoma mansoni opsin-like receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Echinococcus multilocularis g protein coupled receptor 0.0182 0.075 0.085
Echinococcus granulosus orexin receptor type 2 0.0182 0.075 0.085
Onchocerca volvulus Neuropeptide F receptor homolog 0.0182 0.075 0.5
Echinococcus multilocularis somatostatin receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0419 0.1938 0.2196
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Brugia malayi AKH receptor 0.0182 0.075 0.075
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Echinococcus multilocularis orexin receptor type 2 0.0182 0.075 0.085
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0182 0.075 0.075
Echinococcus granulosus alpha 1A adrenergic receptor 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Loa Loa (eye worm) neuropeptide F receptor 0.0182 0.075 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0111 0.0394 0.0447
Schistosoma mansoni neuropeptide receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni histamine h1 receptor 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine receptor 0.0182 0.075 0.085
Brugia malayi putative neuropeptide receptor NPR1 0.0182 0.075 0.075
Schistosoma mansoni neuropeptide receptor 0.0182 0.075 0.085
Echinococcus multilocularis neuropeptide Y receptor 0.0182 0.075 0.085
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0078 0.0229 0.0229
Brugia malayi G-protein coupled receptor 0.0182 0.075 0.075
Echinococcus granulosus neuropeptide Y receptor 0.0182 0.075 0.085
Echinococcus granulosus biogenic amine 5HT receptor 0.0182 0.075 0.085
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0182 0.075 0.085
Echinococcus multilocularis allatostatin A receptor 0.0182 0.075 0.085
Leishmania major C-8 sterol isomerase-like protein 0.0419 0.1938 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0241 0.1046 0.1185
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0182 0.075 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0111 0.0394 0.0447
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.1794 0.8826 1
Schistosoma mansoni hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (5HT) receptor 0.1794 0.8826 1
Brugia malayi sulfakinin receptor protein 0.0182 0.075 0.075
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0182 0.075 0.075
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (5HT) receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi G protein-coupled receptor F59B2.13 0.0182 0.075 0.075
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0241 0.1046 0.1046
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0182 0.075 0.085
Echinococcus multilocularis fmrfamide receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus g protein coupled receptor 0.0182 0.075 0.085
Schistosoma mansoni neuropeptide f receptor 76f 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0182 0.075 0.085
Echinococcus granulosus g-protein coupled receptor 0.0182 0.075 0.085
Echinococcus granulosus somatostatin receptor 0.0182 0.075 0.085
Echinococcus granulosus 7TM GPCR rhodopsin 0.0182 0.075 0.085
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0182 0.075 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi Dopamine receptor protein 2 0.0182 0.075 0.075
Onchocerca volvulus 0.0182 0.075 0.5
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus neuropeptide s receptor 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Loa Loa (eye worm) acyl-CoA oxidase 0.04 0.1844 0.2089
Loa Loa (eye worm) G-protein coupled receptor 0.0182 0.075 0.085
Echinococcus granulosus neuropeptide receptor 0.0182 0.075 0.085
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.1794 0.8826 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0182 0.075 0.085
Schistosoma mansoni alpha-1 adrenergic receptor 0.0182 0.075 0.085
Echinococcus granulosus hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0653 0.311 0.3524
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Echinococcus multilocularis G-protein coupled receptor, putative 0.0182 0.075 0.085
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0241 0.1046 0.1185
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0182 0.075 0.085
Loa Loa (eye worm) neuropeptide F receptor 0.0182 0.075 0.085
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0182 0.075 0.085
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Echinococcus granulosus dro:myosuppressin receptor 0.0182 0.075 0.085
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0182 0.075 0.085
Brugia malayi G-protein coupled receptor 0.0182 0.075 0.075
Echinococcus granulosus neuropeptide receptor 0.0182 0.075 0.085
Toxoplasma gondii acyl-CoA dehydrogenase, middle domain-containing protein 0.0649 0.3089 0.5
Brugia malayi follicle stimulating hormone receptor 0.0182 0.075 0.075
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0182 0.075 0.085
Echinococcus granulosus neuropeptide FF receptor 2 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0078 0.0229 0.0259
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) hypothetical protein 0.0653 0.311 0.3524
Echinococcus multilocularis neuropeptide s receptor 0.0182 0.075 0.085
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0182 0.075 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0419 0.1938 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0182 0.075 0.085
Brugia malayi Serotonin receptor 0.0182 0.075 0.075
Echinococcus multilocularis neuropeptide Y receptor 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Schistosoma mansoni biogenic amine receptor 0.0182 0.075 0.085
Echinococcus granulosus neuropeptides capa receptor 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0182 0.075 0.085
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0182 0.075 0.085
Echinococcus multilocularis neuropeptide receptor A26 0.0182 0.075 0.085
Schistosoma mansoni voltage-gated potassium channel 0.0121 0.0445 0.0504
Brugia malayi Acyl-CoA oxidase family protein 0.0649 0.3089 0.3089
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis neuropeptide receptor 0.0182 0.075 0.085
Echinococcus granulosus tm gpcr rhodopsin 0.0182 0.075 0.085
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0241 0.1046 0.1185
Trypanosoma brucei C-8 sterol isomerase, putative 0.0419 0.1938 1
Echinococcus multilocularis sex peptide receptor 0.0182 0.075 0.085
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Loa Loa (eye worm) melatonin receptor type 1A 0.0182 0.075 0.085
Brugia malayi Melatonin receptor type 1A 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus neuropeptide receptor A26 0.0182 0.075 0.085
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0182 0.075 0.085
Mycobacterium ulcerans acyl-CoA dehydrogenase 0.0081 0.0243 0.5
Onchocerca volvulus 0.0182 0.075 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Schistosoma mansoni hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Echinococcus granulosus tm gpcr rhodopsin 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) PDE1B protein 0.0241 0.1046 0.1185
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0182 0.075 0.075
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Echinococcus multilocularis g protein coupled receptor 0.0182 0.075 0.085
Brugia malayi neuropeptide F receptor 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.1794 0.8826 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus multilocularis serotonin receptor 0.1794 0.8826 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0182 0.075 0.085
Echinococcus granulosus fmrfamide receptor 0.0182 0.075 0.085
Brugia malayi hypothetical protein 0.0182 0.075 0.075
Schistosoma mansoni myosin xvIII 0.0182 0.075 0.085
Echinococcus granulosus allatostatin A receptor 0.0182 0.075 0.085
Schistosoma mansoni neuropeptide receptor 0.0182 0.075 0.085
Schistosoma mansoni neuropeptide receptor 0.0182 0.075 0.085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0096 0.0321 0.0364
Mycobacterium leprae conserved hypothetical protein 0.0078 0.0229 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0182 0.075 0.085
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0182 0.075 0.085
Schistosoma mansoni amine GPCR 0.0182 0.075 0.085
Echinococcus multilocularis g protein coupled receptor 0.0182 0.075 0.085
Schistosoma mansoni neuropeptide F-like receptor 0.0182 0.075 0.085
Schistosoma mansoni amine GPCR 0.0182 0.075 0.085
Echinococcus multilocularis g-protein coupled receptor 0.0182 0.075 0.085
Schistosoma mansoni hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus g protein coupled receptor 0.0182 0.075 0.085
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0182 0.075 0.085
Echinococcus multilocularis fmrfamide receptor 0.0182 0.075 0.085
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0182 0.075 0.085
Echinococcus granulosus tm gpcr rhodopsin 0.0182 0.075 0.085
Brugia malayi putative neuropeptide receptor 0.0182 0.075 0.075
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0182 0.075 0.085
Echinococcus multilocularis dro:myosuppressin receptor 0.0182 0.075 0.085
Echinococcus granulosus neuropeptides capa receptor 0.0182 0.075 0.085
Brugia malayi GnHR receptor homolog 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0419 0.1938 0.1938
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0182 0.075 0.085
Echinococcus granulosus tachykinin peptides receptor 99D 0.0182 0.075 0.085
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0182 0.075 0.085
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0182 0.075 0.085
Echinococcus granulosus rhodopsin orphan GPCR 0.0182 0.075 0.085
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0182 0.075 0.085
Schistosoma mansoni adenoreceptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0111 0.0394 0.0447
Brugia malayi RE15519p 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus 7tm_1 domain containing protein 0.0182 0.075 0.085
Echinococcus granulosus serotonin receptor 0.0182 0.075 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0182 0.075 0.085
Brugia malayi Dopamine receptor 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Echinococcus granulosus g protein coupled receptor 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi ORL1-like opioid receptor 0.0182 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Onchocerca volvulus 0.0182 0.075 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Loa Loa (eye worm) hypothetical protein 0.0182 0.075 0.085
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0111 0.0394 0.0394
Brugia malayi hypothetical protein 0.0182 0.075 0.075

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (functional) = 0.04 nmol/mg Intracellular level of putrescine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 0.04 nmol/mg Intracellular level of putrescine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 0.51 nmol/mg Intracellular level of spermidine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 0.51 nmol/mg Intracellular level of spermidine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 0.95 nmol/mg Intracellular level of conjugate in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 0.95 nmol/mg Intracellular level of conjugate in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 1.4 nmol/mg Intracellular level of putrescine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 1.4 nmol/mg Intracellular level of putrescine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (ADMET) = 2.1 nmol/mg Cellular uptake in CHO-MG cells at 25 uM ChEMBL. 16392808
Drug uptake (functional) = 2.1 nmol/mg Intracellular level of conjugate in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 2.1 nmol/mg Intracellular level of conjugate in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (ADMET) = 2.2 nmol/mg Cellular uptake in CHO cells at 25 uM ChEMBL. 16392808
Drug uptake (functional) = 7.3 nmol/mg Intracellular level of spermine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 7.3 nmol/mg Intracellular level of spermine in L1210 cells in the presence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 8.2 nmol/mg Intracellular level of spermine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 8.2 nmol/mg Intracellular level of spermine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 16 nmol/mg Intracellular level of spermidine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
Drug uptake (functional) = 16 nmol/mg Intracellular level of spermidine in L1210 cells in the absence of DFMO at 10 uM ChEMBL. 16392808
IC50 (functional) = 2.4 uM Inhibition of cell growth in L1210 cells in the presence of DFMO ChEMBL. 16392808
IC50 (functional) = 2.4 uM Inhibition of cell growth in L1210 cells in the presence of DFMO ChEMBL. 16392808
IC50 (binding) = 10 uM Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase ChEMBL. 16392808
IC50 (binding) = 10 uM Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase ChEMBL. 16392808
IC50 (functional) = 11 uM Inhibition of cell growth in CHO cells in the presence of DFMO ChEMBL. 16392808
IC50 (functional) = 23 uM Inhibition of cell growth in CHO-MG cells in the presence of DFMO ChEMBL. 16392808
Selectivity ratio (functional) = 1 Selectivity for uptake in CHO cell line over CHO-MG cell line at 25 uM ChEMBL. 16392808

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 16392808

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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