Detailed information for compound 315196

Basic information

Technical information
  • TDR Targets ID: 315196
  • Name: azane; cyclobutane-1,1-dicarboxylate; platinu m(2+)
  • MW: 371.248 | Formula: C6H12N2O4Pt
  • H donors: 2 H acceptors: 2 LogP: -0.47 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[Pt]OC(=O)C21CCC2.N.N
  • InChi: 1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2
  • InChiKey: OLESAACUTLOWQZ-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • ammonia; cyclobutane-1,1-dicarboxylate; platinum(2+)

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
Echinococcus multilocularis neuropeptide s receptor 0.0129 0.331 0.3286
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0047 0.0593 0.0831
Brugia malayi ORL1-like opioid receptor 0.0129 0.331 0.4879
Echinococcus granulosus carbonic anhydrase 0.0127 0.3227 0.3227
Schistosoma mansoni neuropeptide F-like receptor 0.0129 0.331 0.4879
Brugia malayi Serotonin receptor 0.0129 0.331 0.4879
Brugia malayi sulfakinin receptor protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.015 0.3983 0.5848
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0234 0.6747 1
Echinococcus granulosus neuropeptide Y receptor 0.0129 0.331 0.331
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0935 0.1245
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Echinococcus granulosus allatostatin A receptor 0.0129 0.331 0.331
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.512 0.7566
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Brugia malayi neuropeptide F receptor 0.0129 0.331 0.4879
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.3227 0.4756
Brugia malayi Muscleblind-like protein 0.0148 0.3902 0.5761
Echinococcus multilocularis tumor protein p63 0.0334 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0129 0.331 0.3286
Echinococcus multilocularis neuropeptides capa receptor 0.0129 0.331 0.3286
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0172 0.0204
Echinococcus multilocularis muscleblind protein 0.0148 0.3902 0.388
Schistosoma mansoni biogenic amine (5HT) receptor 0.0129 0.331 0.4879
Brugia malayi G-protein coupled receptor 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Brugia malayi G protein-coupled receptor F59B2.13 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Onchocerca volvulus 0.0185 0.512 0.7593
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Echinococcus granulosus tm gpcr rhodopsin 0.0129 0.331 0.331
Echinococcus multilocularis neuropeptide Y receptor 0.0129 0.331 0.3286
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0129 0.331 0.4879
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.011 0.011
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0129 0.331 0.4879
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0129 0.331 0.4879
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.011 0.0112
Echinococcus multilocularis sex peptide receptor 0.0129 0.331 0.3286
Echinococcus multilocularis carbonic anhydrase 0.0127 0.3227 0.3203
Schistosoma mansoni biogenic amine (5HT) receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi Dopamine receptor 0.0129 0.331 0.4879
Echinococcus granulosus g protein coupled receptor 0.0129 0.331 0.331
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0234 0.6747 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.5802 0.8593
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis allatostatin A receptor 0.0129 0.331 0.3286
Echinococcus multilocularis g protein coupled receptor 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi Dopamine receptor protein 1 0.0129 0.331 0.4879
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Schistosoma mansoni hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0161 0.4329 0.4308
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0127 0.3227 0.4756
Echinococcus granulosus neuropeptides capa receptor 0.0129 0.331 0.331
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0161 0.4329 0.6397
Onchocerca volvulus 0.0129 0.331 0.4889
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0185 0.512 0.7577
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.011 0.0112
Brugia malayi Cyclic-nucleotide gated cation channel 0.0032 0.011 0.0112
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.011 0.011
Echinococcus multilocularis neuropeptides capa receptor 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0121 0.3033 0.4466
Onchocerca volvulus 0.0129 0.331 0.4889
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0129 0.331 0.4879
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0234 0.0199
Echinococcus multilocularis neuropeptide receptor A26 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni biogenic amine receptor 0.0129 0.331 0.4879
Echinococcus multilocularis G-protein coupled receptor, putative 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.015 0.3983 0.5848
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0129 0.331 0.4879
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Brugia malayi Tachykinin-like peptides receptor 99D 0.0129 0.331 0.4879
Echinococcus granulosus neuropeptide receptor 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0121 0.3033 0.4466
Schistosoma mansoni opsin-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0128 0.3255 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0034 0.0172 0.0204
Echinococcus multilocularis neuropeptide Y receptor 0.0129 0.331 0.3286
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.512 1
Schistosoma mansoni neuropeptide receptor 0.0129 0.331 0.4879
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Brugia malayi G protein-coupled receptor 0.0129 0.331 0.4879
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.011 0.011
Echinococcus granulosus somatostatin receptor 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi Melatonin receptor type 1A 0.0129 0.331 0.4879
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0185 0.512 0.5
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus granulosus fmrfamide receptor 0.0129 0.331 0.331
Echinococcus granulosus muscleblind protein 0.0148 0.3902 0.3902
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0127 0.3227 0.4756
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0234 0.6747 1
Echinococcus multilocularis serotonin receptor 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis g-protein coupled receptor 0.0129 0.331 0.3286
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0129 0.331 0.3286
Onchocerca volvulus 0.0049 0.067 0.0947
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.011 0.0112
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni hypothetical protein 0.0127 0.3227 0.4756
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus g-protein coupled receptor 0.0129 0.331 0.331
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.011 0.0075
Echinococcus multilocularis carbonic anhydrase II 0.0234 0.6747 0.6735
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi AKH receptor 0.0129 0.331 0.4879
Schistosoma mansoni adenoreceptor 0.0129 0.331 0.4879
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Schistosoma mansoni neuropeptide F-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0234 0.6747 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0593 0.0831
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.3227 0.4756
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0047 0.0593 0.0593
Schistosoma mansoni neuropeptide f receptor 76f 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni amine GPCR 0.0129 0.331 0.4879
Echinococcus multilocularis fmrfamide receptor 0.0129 0.331 0.3286
Schistosoma mansoni biogenic amine receptor 0.0129 0.331 0.4879
Echinococcus granulosus carbonic anhydrase II 0.0234 0.6747 0.6747
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis dro:myosuppressin receptor 0.0129 0.331 0.3286
Onchocerca volvulus Neuropeptide F receptor homolog 0.0129 0.331 0.4889
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0129 0.331 0.3286
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus granulosus hypothetical protein 0.0129 0.331 0.331
Leishmania major carbonic anhydrase-like protein 0.0234 0.6747 1
Schistosoma mansoni voltage-gated potassium channel 0.0175 0.4812 0.7117
Onchocerca volvulus Huntingtin homolog 0.0121 0.3033 0.4476
Loa Loa (eye worm) hypothetical protein 0.0148 0.3902 0.5761
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.3227 0.4756
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni biogenic amine receptor 0.0129 0.331 0.4879
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.011 0.0112
Onchocerca volvulus 0.0129 0.331 0.4889
Brugia malayi neuropeptide F receptor 0.0129 0.331 0.4879
Plasmodium vivax SET domain protein, putative 0.0029 0.0036 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0032 0.011 0.0075
Loa Loa (eye worm) neuropeptide F receptor 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0121 0.3033 0.4466
Echinococcus granulosus tm gpcr rhodopsin 0.0129 0.331 0.331
Schistosoma mansoni alpha-1 adrenergic receptor 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0129 0.331 0.331
Schistosoma mansoni myosin xvIII 0.0129 0.331 0.4879
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0047 0.0593 0.056
Plasmodium falciparum carbonic anhydrase 0.0127 0.3227 0.5
Brugia malayi larval opioid receptor 0.0129 0.331 0.4879
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0129 0.331 0.4879
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0129 0.331 0.331
Brugia malayi G-protein coupled receptor 0.0129 0.331 0.4879
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0032 0.011 0.0075
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0129 0.331 0.4879
Echinococcus granulosus geminin 0.0167 0.4551 0.4551
Loa Loa (eye worm) hypothetical protein 0.0139 0.3634 0.5362
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0129 0.331 0.331
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0129 0.331 0.4879
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0032 0.011 0.011
Echinococcus granulosus voltage gated potassium channel 0.0047 0.0593 0.0593
Brugia malayi follicle stimulating hormone receptor 0.0129 0.331 0.4879
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6732 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0129 0.331 0.4879
Echinococcus multilocularis geminin 0.0167 0.4551 0.4532
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0682 0.0964
Echinococcus granulosus serotonin receptor 0.0129 0.331 0.331
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.011 0.011
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0234 0.0295
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus 7TM GPCR rhodopsin 0.0129 0.331 0.331
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.512 0.7566
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Schistosoma mansoni amine GPCR 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Schistosoma mansoni histamine h1 receptor 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.512 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0129 0.331 0.4879
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.512 0.7566
Echinococcus multilocularis neuropeptide FF receptor 2 0.0129 0.331 0.3286
Echinococcus multilocularis g protein coupled receptor 0.0129 0.331 0.3286
Echinococcus multilocularis neuropeptide receptor 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0682 0.0964
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0234 0.0234
Echinococcus granulosus g protein coupled receptor 0.0129 0.331 0.331
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0036 0.0036
Toxoplasma gondii hypothetical protein 0.0127 0.3227 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.067 0.0945
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0161 0.4329 0.6397
Loa Loa (eye worm) hypothetical protein 0.0049 0.067 0.0945
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0127 0.3227 0.4756
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0127 0.3227 0.4756
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0129 0.331 0.3286
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2932 0.4316
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0129 0.331 0.3286
Echinococcus multilocularis voltage gated potassium channel 0.0047 0.0593 0.056
Trypanosoma brucei carbonic anhydrase-like protein 0.0234 0.6747 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0047 0.0593 0.0831
Loa Loa (eye worm) carbonic anhydrase 3 0.0234 0.6747 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.011 0.0112
Schistosoma mansoni hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus g protein coupled receptor 0.0129 0.331 0.331
Schistosoma mansoni neuropeptide receptor 0.0129 0.331 0.4879
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0234 0.6747 1
Schistosoma mansoni hypothetical protein 0.0167 0.4551 0.6729
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni hypothetical protein 0.0036 0.0234 0.0295
Echinococcus multilocularis G protein coupled receptor 139 0.0129 0.331 0.3286
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.3227 0.4756
Echinococcus granulosus neuropeptides capa receptor 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis carbonic anhydrase 0.0127 0.3227 0.3203
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0148 0.3902 0.5761
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0185 0.512 0.7577
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus biogenic amine 5HT receptor 0.0129 0.331 0.331
Loa Loa (eye worm) G-protein coupled receptor 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.011 0.0112
Onchocerca volvulus Huntingtin homolog 0.0121 0.3033 0.4476
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni hypothetical protein 0.0034 0.0172 0.0204
Brugia malayi Serotonin receptor 0.0129 0.331 0.4879
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0129 0.331 0.4879
Echinococcus granulosus neuropeptide Y receptor 0.0129 0.331 0.331
Schistosoma mansoni neuropeptide receptor 0.0129 0.331 0.4879
Echinococcus multilocularis orexin receptor type 2 0.0129 0.331 0.3286
Schistosoma mansoni amine GPCR 0.0129 0.331 0.4879
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0129 0.331 0.3286
Echinococcus granulosus neuropeptide receptor A26 0.0129 0.331 0.331
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.011 0.0075
Schistosoma mansoni opsin-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) melatonin receptor type 1A 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus tm gpcr rhodopsin 0.0129 0.331 0.331
Brugia malayi Pre-SET motif family protein 0.0206 0.5802 0.8593
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) G-protein coupled receptor 0.0129 0.331 0.4879
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.512 0.7566
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0129 0.331 0.4879
Echinococcus granulosus biogenic amine 5HT receptor 0.0129 0.331 0.331
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0129 0.331 0.4879
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.512 0.7566
Schistosoma mansoni hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi putative neuropeptide receptor 0.0129 0.331 0.4879
Schistosoma mansoni amine GPCR 0.0129 0.331 0.4879
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.011 0.0112
Echinococcus granulosus neuropeptide s receptor 0.0129 0.331 0.331
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Echinococcus granulosus carbonic anhydrase 0.0127 0.3227 0.3227
Echinococcus granulosus orexin receptor type 2 0.0129 0.331 0.331
Schistosoma mansoni carbonic anhydrase 0.0127 0.3227 0.4756
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0129 0.331 0.3286
Schistosoma mansoni hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0127 0.3227 0.4756
Echinococcus granulosus neuropeptide FF receptor 2 0.0129 0.331 0.331
Brugia malayi GnHR receptor homolog 0.0129 0.331 0.4879
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0129 0.331 0.3286
Onchocerca volvulus 0.0129 0.331 0.4889
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0682 0.0964
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0129 0.331 0.331
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0593 0.0831
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0129 0.331 0.4879
Echinococcus multilocularis neuropeptide receptor 0.0129 0.331 0.3286
Echinococcus granulosus dro:myosuppressin receptor 0.0129 0.331 0.331
Schistosoma mansoni hypothetical protein 0.0167 0.4551 0.6729
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0234 0.6747 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0049 0.0682 0.0964
Echinococcus multilocularis somatostatin receptor 0.0129 0.331 0.3286
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0185 0.512 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Onchocerca volvulus 0.0129 0.331 0.4889
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0129 0.331 0.4879
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0161 0.4329 0.4329
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Echinococcus granulosus sex peptide receptor 0.0129 0.331 0.331
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0129 0.331 0.3286
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0127 0.3227 0.4756
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0032 0.011 0.011
Schistosoma mansoni amine GPCR 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus multilocularis muscleblind protein 1 0.0148 0.3902 0.388
Echinococcus granulosus G protein coupled receptor 139 0.0129 0.331 0.331
Brugia malayi RE15519p 0.0129 0.331 0.4879
Schistosoma mansoni neuropeptide receptor 0.0129 0.331 0.4879
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus neuropeptide receptor 0.0129 0.331 0.331
Echinococcus granulosus alpha 1A adrenergic receptor 0.0129 0.331 0.331
Echinococcus multilocularis fmrfamide receptor 0.0129 0.331 0.3286
Echinococcus granulosus peptide allatostatin:somatostatin 0.0129 0.331 0.331
Loa Loa (eye worm) neuropeptide F receptor 0.0129 0.331 0.4879
Echinococcus granulosus carbonic anhydrase 0.0127 0.3227 0.3227
Echinococcus granulosus tachykinin peptides receptor 99D 0.0129 0.331 0.331
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus 7tm_1 domain containing protein 0.0129 0.331 0.331
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0129 0.331 0.4879
Schistosoma mansoni carbonic anhydrase-related 0.0127 0.3227 0.4756
Brugia malayi hypothetical protein 0.0036 0.0234 0.0295
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0129 0.331 0.3286
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0129 0.331 0.4889
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879
Onchocerca volvulus 0.0129 0.331 0.4889
Echinococcus multilocularis carbonic anhydrase 0.0127 0.3227 0.3203
Echinococcus multilocularis rhodopsin orphan GPCR 0.0129 0.331 0.3286
Loa Loa (eye worm) TYRA-2 protein 0.0129 0.331 0.4879
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2932 0.4316
Echinococcus multilocularis serotonin receptor 0.0129 0.331 0.3286
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0129 0.331 0.3286
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.011 0.0112
Schistosoma mansoni opsin-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0032 0.011 0.0112
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.512 0.7566
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0032 0.011 0.0075
Schistosoma mansoni voltage-gated potassium channel 0.0175 0.4812 0.7117
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Brugia malayi putative neuropeptide receptor NPR1 0.0129 0.331 0.4879
Onchocerca volvulus 0.0234 0.6732 1
Brugia malayi MH2 domain containing protein 0.0118 0.2932 0.4316
Loa Loa (eye worm) hypothetical protein 0.0129 0.331 0.4879
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0129 0.331 0.4879
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0935 0.1245
Brugia malayi hypothetical protein 0.0129 0.331 0.4879
Echinococcus granulosus rhodopsin orphan GPCR 0.0129 0.331 0.331
Echinococcus multilocularis g protein coupled receptor 0.0129 0.331 0.3286
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0127 0.3227 0.4756
Brugia malayi Dopamine receptor protein 2 0.0129 0.331 0.4879
Schistosoma mansoni growth hormone secretagogue receptor 0.0129 0.331 0.4879
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0129 0.331 0.3286
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0234 0.6747 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0129 0.331 0.4879

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.86 uM In vitro Inhibitory concentration against HL-60 human leukemia cell line; Tested by trypan blue exclusion test ChEMBL. 15953727
IC50 (functional) = 29.1 uM In vitro Inhibitory concentration against 3AO human ovarian carcinoma cell line; Tested by sulforhodamine B colorimetric assay ChEMBL. 15953727
IC50 (functional) = 36.1 uM In vitro Inhibitory concentration against BEL-7402 human hepatocarcinoma cell line; Tested by sulforhodamine B colorimetric assay ChEMBL. 15953727
IC50 (functional) = 42.3 uM In vitro Inhibitory Concentration against A549 human lung carcinoma cell line; Tested by sulforhodamine B colorimetric assay ChEMBL. 15953727
k1 (ADMET) < 0.0000001 s-1 Hydrolysis rate constant of the compound ChEMBL. 16134932

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

2 literature references were collected for this gene.

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