Detailed information for compound 329937

Basic information

Technical information
  • TDR Targets ID: 329937
  • Name: 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoqu inoline-5,11-dione
  • MW: 332.396 | Formula: C21H20N2O2
  • H donors: 0 H acceptors: 2 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2)C
  • InChi: 1S/C21H20N2O2/c1-22(2)12-7-13-23-19-15-9-4-5-10-16(15)20(24)18(19)14-8-3-6-11-17(14)21(23)25/h3-6,8-11H,7,12-13H2,1-2H3
  • InChiKey: FYGFCQLVSPTQEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-quinone
  • 6-(3-dimethylaminopropyl)indeno[3,2-c]isoquinoline-5,11-dione
  • 6-(3-dimethylaminopropyl)indeno[3,2-c]isoquinoline-5,11-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoid X receptor, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha Get druggable targets OG5_130073 All targets in OG5_130073
Echinococcus granulosus retinoic acid receptor rxr beta a Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma japonicum ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative Get druggable targets OG5_130073 All targets in OG5_130073
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor retinoid X receptor, alpha 435 aa 352 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis G protein coupled receptor 139 0.0144 0.3817 0.542
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Echinococcus multilocularis serotonin receptor 0.0144 0.3817 0.542
Plasmodium falciparum glutathione reductase 0.0042 0.0766 0.5
Brugia malayi putative neuropeptide receptor 0.0144 0.3817 0.3817
Loa Loa (eye worm) neuropeptide F receptor 0.0144 0.3817 0.3817
Echinococcus multilocularis neuropeptide Y receptor 0.0144 0.3817 0.542
Echinococcus multilocularis neuropeptide Y receptor 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0144 0.3817 0.3817
Brugia malayi Tachykinin-like peptides receptor 99D 0.0144 0.3817 0.3817
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0144 0.3817 1
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Echinococcus granulosus neuropeptide Y receptor 0.0144 0.3817 0.542
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.24 0.1967
Schistosoma mansoni alpha-1 adrenergic receptor 0.0144 0.3817 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0144 0.3817 0.542
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Onchocerca volvulus 0.0028 0.0336 0.088
Schistosoma mansoni neuropeptide receptor 0.0144 0.3817 1
Brugia malayi SH2 domain containing protein 0.0028 0.0336 0.0336
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0028 0.0336 0.0477
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Schistosoma mansoni survival motor neuron protein 0.0051 0.1031 0.2702
Echinococcus granulosus somatostatin receptor 0.0144 0.3817 0.542
Brugia malayi Tyrosine-protein kinase abl-1 0.0028 0.0336 0.0336
Schistosoma mansoni neuropeptide F-like receptor 0.0144 0.3817 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Schistosoma mansoni neuropeptide receptor 0.0144 0.3817 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.3477 0.3263
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0144 0.3817 0.542
Echinococcus granulosus alpha 1A adrenergic receptor 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) SRC-1 0.0028 0.0336 0.0336
Mycobacterium ulcerans epoxide hydrolase EphA 0.0318 0.9073 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Echinococcus multilocularis sex peptide receptor 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Abl 0.0028 0.0336 0.0477
Echinococcus granulosus g protein coupled receptor 0.0144 0.3817 0.542
Echinococcus multilocularis neuropeptide FF receptor 2 0.0144 0.3817 0.542
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0144 0.3817 0.542
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000002623 0.0000002623
Schistosoma mansoni growth hormone secretagogue receptor 0.0144 0.3817 1
Schistosoma mansoni neuropeptide receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus G protein coupled receptor 139 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine protein kinase Lyn 0.0028 0.0336 0.0477
Schistosoma mansoni amine GPCR 0.0144 0.3817 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0107 0.2725 0.2358
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus allatostatin A receptor 0.0144 0.3817 0.542
Brugia malayi neuropeptide F receptor 0.0144 0.3817 0.3817
Brugia malayi Protein kinase domain containing protein 0.0028 0.0336 0.0336
Echinococcus granulosus tm gpcr rhodopsin 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0144 0.3817 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Brugia malayi G protein-coupled receptor 0.0144 0.3817 0.3817
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0144 0.3817 0.542
Loa Loa (eye worm) TK/ABL protein kinase 0.0028 0.0336 0.0336
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0144 0.3817 0.542
Loa Loa (eye worm) melatonin receptor type 1A 0.0144 0.3817 0.3817
Schistosoma mansoni biogenic amine receptor 0.0144 0.3817 1
Echinococcus multilocularis neuropeptide receptor A26 0.0144 0.3817 0.542
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0144 0.3817 0.542
Brugia malayi AKH receptor 0.0144 0.3817 0.3817
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0144 0.3817 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0107 0.2725 0.2358
Echinococcus multilocularis g-protein coupled receptor 0.0144 0.3817 0.542
Schistosoma mansoni retinoic acid receptor RXR 0.0128 0.335 0.8777
Echinococcus granulosus dro:myosuppressin receptor 0.0144 0.3817 0.542
Echinococcus granulosus survival motor neuron protein 1 0.0251 0.7042 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni transient receptor potential channel 0.0017 0.0000002623 0.00000068723
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0144 0.3817 0.3817
Echinococcus multilocularis neuropeptides capa receptor 0.0144 0.3817 0.542
Echinococcus granulosus neuropeptide FF receptor 2 0.0144 0.3817 0.542
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0783 0.1112
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0144 0.3817 1
Onchocerca volvulus 0.0144 0.3817 1
Onchocerca volvulus 0.0028 0.0336 0.088
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0144 0.3817 0.3817
Brugia malayi Thioredoxin reductase 0.0042 0.0766 0.0766
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0144 0.3817 0.542
Echinococcus granulosus 7tm_1 domain containing protein 0.0144 0.3817 0.542
Leishmania major trypanothione reductase 0.0042 0.0766 0.2204
Brugia malayi Dopamine receptor protein 2 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0349 1 1
Onchocerca volvulus 0.0144 0.3817 1
Schistosoma mansoni adenoreceptor 0.0144 0.3817 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0144 0.3817 1
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Onchocerca volvulus 0.0028 0.0336 0.088
Schistosoma mansoni amine GPCR 0.0144 0.3817 1
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0766 1
Brugia malayi Dopamine receptor protein 1 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0028 0.0336 0.0477
Onchocerca volvulus 0.0051 0.1031 0.2702
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0144 0.3817 1
Schistosoma mansoni histamine h1 receptor 0.0144 0.3817 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0028 0.0336 0.0477
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0144 0.3817 0.3817
Loa Loa (eye worm) G-protein coupled receptor 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Trypanosoma brucei trypanothione reductase 0.0042 0.0766 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0028 0.0336 0.0477
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.3477 0.4937
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni biogenic amine (5HT) receptor 0.0144 0.3817 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0144 0.3817 1
Loa Loa (eye worm) TYRA-2 protein 0.0144 0.3817 0.3817
Schistosoma mansoni opsin-like receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000002623 0.0000002623
Onchocerca volvulus 0.0144 0.3817 1
Schistosoma mansoni biogenic amine receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni hypothetical protein 0.0144 0.3817 1
Schistosoma mansoni hypothetical protein 0.0144 0.3817 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0144 0.3817 1
Brugia malayi glutathione reductase 0.0042 0.0766 0.0766
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine kinase 0.0028 0.0336 0.0477
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Schistosoma mansoni amine GPCR 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0318 0.9073 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0028 0.0336 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis fmrfamide receptor 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Brugia malayi Serotonin receptor 0.0144 0.3817 0.3817
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Echinococcus granulosus hypothetical protein 0.0144 0.3817 0.542
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0028 0.0336 0.0477
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.24 0.1967
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.24 0.1967
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus granulosus g protein coupled receptor 0.0144 0.3817 0.542
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0123 0.3204 0.455
Echinococcus granulosus serotonin receptor 0.0144 0.3817 0.542
Brugia malayi Protein kinase domain containing protein 0.0028 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus tyrosine protein kinase Src64B 0.0028 0.0336 0.0477
Onchocerca volvulus Neuropeptide F receptor homolog 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus multilocularis g protein coupled receptor 0.0144 0.3817 0.542
Brugia malayi hypothetical protein 0.0028 0.0336 0.0336
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1031 0.1031
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.3477 0.911
Echinococcus multilocularis neuropeptide receptor 0.0144 0.3817 0.542
Schistosoma mansoni neuropeptide f receptor 76f 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Brugia malayi G-protein coupled receptor 0.0144 0.3817 0.3817
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Brugia malayi RE15519p 0.0144 0.3817 0.3817
Schistosoma mansoni myosin xvIII 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0028 0.0336 0.0477
Brugia malayi G-protein coupled receptor 0.0144 0.3817 0.3817
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Brugia malayi Melatonin receptor type 1A 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0251 0.7042 0.7042
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Loa Loa (eye worm) neuropeptide F receptor 0.0144 0.3817 0.3817
Echinococcus granulosus neuropeptide receptor A26 0.0144 0.3817 0.542
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0783 0.1112
Echinococcus granulosus biogenic amine 5HT receptor 0.0144 0.3817 0.542
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0144 0.3817 1
Echinococcus granulosus orexin receptor type 2 0.0144 0.3817 0.542
Echinococcus multilocularis allatostatin A receptor 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Brugia malayi olfactory channel protein osm-9 0.0017 0.0000002623 0.0000002623
Schistosoma mansoni opsin-like receptor 0.0144 0.3817 1
Echinococcus multilocularis serotonin receptor 0.0144 0.3817 0.542
Brugia malayi Serotonin receptor 0.0144 0.3817 0.3817
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0028 0.0336 0.0477
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0144 0.3817 0.542
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.24 0.1967
Brugia malayi Protein kinase domain containing protein 0.0028 0.0336 0.0336
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine kinase 0.0028 0.0336 0.0477
Echinococcus multilocularis survival motor neuron protein 1 0.0251 0.7042 1
Echinococcus multilocularis neuropeptides capa receptor 0.0144 0.3817 0.542
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0028 0.0336 0.088
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0144 0.3817 0.542
Echinococcus multilocularis somatostatin receptor 0.0144 0.3817 0.542
Brugia malayi neuropeptide F receptor 0.0144 0.3817 0.3817
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Echinococcus multilocularis tyrosine protein kinase shark 0.0028 0.0336 0.0477
Schistosoma mansoni neuropeptide receptor 0.0144 0.3817 1
Loa Loa (eye worm) glutathione reductase 0.0042 0.0766 0.0766
Schistosoma mansoni biogenic amine receptor 0.0144 0.3817 1
Schistosoma mansoni hypothetical protein 0.0051 0.1031 0.2702
Echinococcus multilocularis g protein coupled receptor 0.0144 0.3817 0.542
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0028 0.0336 0.0477
Echinococcus multilocularis tyrosine protein kinase Srms 0.0028 0.0336 0.0477
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus sex peptide receptor 0.0144 0.3817 0.542
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0144 0.3817 0.542
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.3477 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0107 0.2725 0.2358
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0766 0.0766
Echinococcus multilocularis neuropeptide s receptor 0.0144 0.3817 0.542
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus multilocularis fmrfamide receptor 0.0144 0.3817 0.542
Brugia malayi follicle stimulating hormone receptor 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Onchocerca volvulus 0.0028 0.0336 0.088
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Plasmodium vivax glutathione reductase, putative 0.0042 0.0766 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0028 0.0336 0.0477
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Echinococcus granulosus fmrfamide receptor 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine kinase 0.0028 0.0336 0.0477
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0144 0.3817 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0028 0.0336 0.0477
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0107 0.2725 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0144 0.3817 0.542
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0144 0.3817 0.542
Schistosoma mansoni neuropeptide F-like receptor 0.0144 0.3817 1
Onchocerca volvulus 0.0028 0.0336 0.088
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Echinococcus granulosus neuropeptides capa receptor 0.0144 0.3817 0.542
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Brugia malayi larval opioid receptor 0.0144 0.3817 0.3817
Brugia malayi ORL1-like opioid receptor 0.0144 0.3817 0.3817
Echinococcus granulosus neuropeptide receptor 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0028 0.0336 0.0477
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0028 0.0336 0.0477
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine protein kinase ABL1 0.0028 0.0336 0.0477
Brugia malayi SRC-1 0.0028 0.0336 0.0336
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0028 0.0336 0.0477
Brugia malayi putative neuropeptide receptor NPR1 0.0144 0.3817 0.3817
Brugia malayi sulfakinin receptor protein 0.0349 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0144 0.3817 0.542
Brugia malayi G protein-coupled receptor F59B2.13 0.0144 0.3817 0.3817
Echinococcus multilocularis rhodopsin orphan GPCR 0.0144 0.3817 0.542
Schistosoma mansoni biogenic amine (5HT) receptor 0.0144 0.3817 1
Echinococcus granulosus neuropeptide receptor 0.0144 0.3817 0.542
Echinococcus multilocularis G-protein coupled receptor, putative 0.0144 0.3817 0.542
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000002623 0.0000002623
Onchocerca volvulus 0.0144 0.3817 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0028 0.0336 0.0477
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0028 0.0336 0.0477
Schistosoma mansoni hypothetical protein 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Onchocerca volvulus 0.0028 0.0336 0.088
Echinococcus granulosus neuropeptides capa receptor 0.0144 0.3817 0.542
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus tm gpcr rhodopsin 0.0144 0.3817 0.542
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0128 0.335 0.4757
Brugia malayi Protein kinase domain containing protein 0.0028 0.0336 0.0336
Brugia malayi SH2 domain containing protein 0.0028 0.0336 0.0336
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Echinococcus granulosus 7TM GPCR rhodopsin 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0028 0.0336 0.0477
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Echinococcus multilocularis g protein coupled receptor 0.0144 0.3817 0.542
Onchocerca volvulus 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Schistosoma mansoni transient receptor potential channel 0.0017 0.0000002623 0.00000068723
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus rhodopsin orphan GPCR 0.0144 0.3817 0.542
Loa Loa (eye worm) TK protein kinase 0.0028 0.0336 0.0336
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0144 0.3817 0.542
Brugia malayi Protein kinase domain containing protein 0.0028 0.0336 0.0336
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0144 0.3817 0.3817
Schistosoma mansoni amine GPCR 0.0144 0.3817 1
Echinococcus multilocularis neuropeptide receptor 0.0144 0.3817 0.542
Plasmodium falciparum thioredoxin reductase 0.0042 0.0766 0.5
Toxoplasma gondii thioredoxin reductase 0.0042 0.0766 0.2204
Echinococcus granulosus c src tyrosine kinase 0.0028 0.0336 0.0477
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Loa Loa (eye worm) G-protein coupled receptor 0.0144 0.3817 0.3817
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.24 0.1967
Mycobacterium tuberculosis Probable reductase 0.0097 0.24 0.1967
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus biogenic amine 5HT receptor 0.0144 0.3817 0.542
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Onchocerca volvulus 0.0144 0.3817 1
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0766 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0144 0.3817 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0144 0.3817 0.3817
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0144 0.3817 0.3817
Brugia malayi Dopamine receptor 0.0144 0.3817 0.3817
Brugia malayi hypothetical protein 0.0251 0.7042 0.7042
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Echinococcus granulosus tyrosine protein kinase shark 0.0028 0.0336 0.0477
Echinococcus granulosus tyrosine protein kinase Blk 0.0028 0.0336 0.0477
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0144 0.3817 0.3817
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000002623 0.00000037245
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.3477 0.911
Echinococcus granulosus peptide allatostatin:somatostatin 0.0144 0.3817 0.542
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0144 0.3817 0.3817
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0144 0.3817 0.542
Echinococcus granulosus neuropeptide s receptor 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine protein kinase Fyn 0.0028 0.0336 0.0477
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0144 0.3817 1
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.3477 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.3477 0.4937
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Brugia malayi hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Brugia malayi GnHR receptor homolog 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0144 0.3817 0.3817
Loa Loa (eye worm) hypothetical protein 0.0028 0.0336 0.0336
Schistosoma mansoni opsin-like receptor 0.0144 0.3817 1
Onchocerca volvulus 0.0144 0.3817 1
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0336 0.0336
Echinococcus multilocularis dro:myosuppressin receptor 0.0144 0.3817 0.542
Echinococcus granulosus tyrosine protein kinase Srms 0.0028 0.0336 0.0477
Brugia malayi protein-tyrosine kinase 0.0028 0.0336 0.0336
Echinococcus granulosus g protein coupled receptor 0.0144 0.3817 0.542
Schistosoma mansoni tyrosine kinase 0.0028 0.0336 0.088
Echinococcus multilocularis orexin receptor type 2 0.0144 0.3817 0.542
Echinococcus granulosus neuropeptide Y receptor 0.0144 0.3817 0.542
Schistosoma mansoni amine GPCR 0.0144 0.3817 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 75 % Activity at recombinant top1 (unknown origin) assessed as DNA cleavage using 3'-[32P]-labeled 117-bp DNA as substrate at 0.1 to 100 uM after 20 mins by SDS-PAGE ChEMBL. 27070999
DNA cleavage (binding) Induction of topoisomerase I mediated DNA cleavage; greater activity than parent compound 1 ChEMBL. 15509164
DNA cleavage (binding) 0 Induction of topoisomerase I mediated DNA cleavage; greater activity than parent compound 1 ChEMBL. 15509164
EC50 (binding) = 9.6 uM Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RXRE-luciferase reporter gene assay ChEMBL. 23472886
FC (binding) = 2.6 Binding affinity to RXRalpha (unknown origin) at 10 uM after 2 hrs by ultrafiltration LC-MS/MS analysis relative to control ChEMBL. 23472886
GI50 (functional) = 0.51 uM Growth inhibitory activity of the compound against human melanoma UACC-62 cell line ChEMBL. 15509164
GI50 (functional) = 0.51 uM Antiproliferative activity against human UACC62 cell line ChEMBL. 16442283
GI50 (functional) = 0.51 uM Cytotoxicity against human UACC62 cells ChEMBL. 17696418
GI50 (functional) = 0.51 uM Growth inhibitory activity of the compound against human melanoma UACC-62 cell line ChEMBL. 15509164
GI50 (functional) = 0.51 uM Antiproliferative activity against human UACC62 cell line ChEMBL. 16442283
GI50 (functional) = 0.51 uM Cytotoxicity against human UACC62 cells ChEMBL. 17696418
GI50 (functional) = 0.51 uM Cytotoxicity against human UACC62 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 0.55 uM Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 0.58 uM Growth inhibitory activity of the compound against human colon HCT-116 cell line ChEMBL. 15509164
GI50 (functional) = 0.58 uM Antiproliferative activity against human HCT116 cell line ChEMBL. 16442283
GI50 (functional) = 0.58 uM Cytotoxicity against human HCT116 cells ChEMBL. 17696418
GI50 (functional) = 0.58 uM Growth inhibitory activity of the compound against human colon HCT-116 cell line ChEMBL. 15509164
GI50 (functional) = 0.58 uM Antiproliferative activity against human HCT116 cell line ChEMBL. 16442283
GI50 (functional) = 0.58 uM Cytotoxicity against human HCT116 cells ChEMBL. 17696418
GI50 (functional) = 0.58 uM Cytotoxicity against human HCT116 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 0.91 uM Growth inhibitory activity of the compound against human renal SN12C cell line ChEMBL. 15509164
GI50 (functional) = 0.91 uM Antiproliferative activity against human SN12C cell line ChEMBL. 16442283
GI50 (functional) = 0.91 uM Cytotoxicity against human SN12C cells ChEMBL. 17696418
GI50 (functional) = 0.91 uM Growth inhibitory activity of the compound against human renal SN12C cell line ChEMBL. 15509164
GI50 (functional) = 0.91 uM Antiproliferative activity against human SN12C cell line ChEMBL. 16442283
GI50 (functional) = 0.91 uM Cytotoxicity against human SN12C cells ChEMBL. 17696418
GI50 (functional) = 0.91 uM Cytotoxicity against human SN12C cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 1.32 uM Growth inhibitory activity of the compound against human prostate DU-145 cell line ChEMBL. 15509164
GI50 (functional) = 1.32 uM Antiproliferative activity against human DU145 cell line ChEMBL. 16442283
GI50 (functional) = 1.32 uM Cytotoxicity against human DU145 cells ChEMBL. 17696418
GI50 (functional) = 1.32 uM Growth inhibitory activity of the compound against human prostate DU-145 cell line ChEMBL. 15509164
GI50 (functional) = 1.32 uM Antiproliferative activity against human DU145 cell line ChEMBL. 16442283
GI50 (functional) = 1.32 uM Cytotoxicity against human DU145 cells ChEMBL. 17696418
GI50 (functional) = 1.32 uM Cytotoxicity against human DU145 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 1.66 uM Cytotoxicity against human OVCAR3 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 1.7 uM Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line ChEMBL. 15509164
GI50 (functional) = 1.7 uM Antiproliferative activity against human OVCAR3 cell line ChEMBL. 16442283
GI50 (functional) = 1.7 uM Cytotoxicity against human OVCAR3 cells ChEMBL. 17696418
GI50 (functional) = 1.7 uM Growth inhibitory activity of the compound against human ovarian OVCAR-3 cell line ChEMBL. 15509164
GI50 (functional) = 1.7 uM Antiproliferative activity against human OVCAR3 cell line ChEMBL. 16442283
GI50 (functional) = 1.7 uM Cytotoxicity against human OVCAR3 cells ChEMBL. 17696418
GI50 (functional) = 1.74 uM Growth inhibitory activity of the compound against human lung HOP-62 cell line ChEMBL. 15509164
GI50 (functional) = 1.74 uM Antiproliferative activity against human HOP62 cell line ChEMBL. 16442283
GI50 (functional) = 1.74 uM Cytotoxicity against human HOP62 cells ChEMBL. 17696418
GI50 (functional) = 1.74 uM Growth inhibitory activity of the compound against human lung HOP-62 cell line ChEMBL. 15509164
GI50 (functional) = 1.74 uM Antiproliferative activity against human HOP62 cell line ChEMBL. 16442283
GI50 (functional) = 1.74 uM Cytotoxicity against human HOP62 cells ChEMBL. 17696418
GI50 (functional) = 1.74 uM Cytotoxicity against human HOP62 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 1.86 uM Growth inhibitory activity of the compound against human CNSSF-539 cell line ChEMBL. 15509164
GI50 (functional) = 1.86 uM Antiproliferative activity against human SF268 cell line ChEMBL. 16442283
GI50 (functional) = 1.86 uM Cytotoxicity against human SF539 cells ChEMBL. 17696418
GI50 (functional) = 1.86 uM Antiproliferative activity against human SF268 cell line ChEMBL. 16442283
GI50 (functional) = 1.86 uM Cytotoxicity against human SF539 cells ChEMBL. 17696418
GI50 (functional) = 1.86 uM Cytotoxicity against human SF539 cells after 48 hrs by SRB assay ChEMBL. 21823606
GI50 (functional) = 2.82 uM Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line ChEMBL. 15509164
GI50 (functional) = 2.82 uM Antiproliferative activity against human MDA-MB-435 cell line ChEMBL. 16442283
GI50 (functional) = 2.82 uM Cytotoxicity against human MDA-MB-435 cells ChEMBL. 17696418
GI50 (functional) = 2.82 uM Growth inhibitory activity of the compound against human breast MDA-MB-435 cell line ChEMBL. 15509164
GI50 (functional) = 2.82 uM Antiproliferative activity against human MDA-MB-435 cell line ChEMBL. 16442283
GI50 (functional) = 2.82 uM Cytotoxicity against human MDA-MB-435 cells ChEMBL. 17696418
IC50 (functional) = 0.63 uM Cytotoxicity against human mitoxantrone-sensitive HL60 cells after 72 hrs ChEMBL. 18507368
Inhibition (binding) Inhibition of human topoisomerase 1 assessed as inhibition of radiolabeled DNA fragment cleavage 0.1 to 100 uM after 20 mins by gel-based phosphoimaging relative to control ChEMBL. 21823606
Mean graph mid point (functional) = 1.86 Mean graph mid point for growth inhibition of human cancer cell lines ChEMBL. 15509164
Ratio (binding) > 1 Activation of human RXRalpha activity expressed in COS1 cells assessed as induction ratio at 50 uM after 12 hrs by RXRE-luciferase reporter gene assay relative to untreated control ChEMBL. 23472886
Ratio (binding) = 43.94 Activation of human RXRalpha activity expressed in COS1 cells assessed as induction ratio after 12 hrs by RXRE-luciferase reporter gene assay relative to untreated control ChEMBL. 23472886

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18507368

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

6 literature references were collected for this gene.

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