Detailed information for compound 37105

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.45 | Formula: C22H26N2O9
  • H donors: 7 H acceptors: 9 LogP: -0.14 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN([C@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1[C@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C(=O)N)C.O
  • InChi: 1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27,29-30,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1
  • InChiKey: MNONVKINUHSFGP-CVHRZJFOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1647 0.5662 0.5988
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0232 0.0708 1
Schistosoma mansoni thyroid hormone receptor 0.0038 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0057 0.0097 0.0103
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0055 0.0026
Loa Loa (eye worm) hypothetical protein 0.0111 0.0284 0.03
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1647 0.5662 0.5975
Echinococcus granulosus WGR domain containing protein 0.0045 0.0055 0.0026
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0073 0.0077
Echinococcus multilocularis thyroid hormone receptor alpha 0.0038 0.003 0.0018
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0232 0.0708 0.0334
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0039 0.0032 0.5
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1247 0.4261 0.4499
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0038 0.003 0.0032
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0145 0.0405 0.0415
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0066 0.0129 0.0105
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0039 0.0032 0.5
Brugia malayi ecdysteroid receptor 0.0038 0.003 0.0032
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0475 0.156 0.165
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0053 0.0084 0.0071
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0232 0.0708 0.0696
Brugia malayi Steroid receptor seven-up type 2 0.0038 0.003 0.0032
Onchocerca volvulus Serine\/threonine kinase homolog 0.273 0.9454 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0038 0.003 0.0032
Echinococcus multilocularis ecdysone induced protein 78C 0.0038 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0077 0.0167 0.0177
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0232 0.0708 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0038 0.003 0.0032
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.003 0.0018
Brugia malayi Cytochrome P450 family protein 0.0062 0.0115 0.0121
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Onchocerca volvulus 0.0232 0.0708 0.0719
Loa Loa (eye worm) hypothetical protein 0.0077 0.0167 0.0177
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0145 0.0405 0.0393
Loa Loa (eye worm) hypothetical protein 0.1647 0.5662 0.5988
Loa Loa (eye worm) hypothetical protein 0.0053 0.0084 0.0089
Schistosoma mansoni steroid hormone receptor ad4bp 0.0038 0.003 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.1091 0.3716 0.3909
Trypanosoma brucei poly(adp-ribose) polymerase 0.008 0.0176 0.0186
Brugia malayi Immunoglobulin I-set domain containing protein 0.0572 0.19 0.2009
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0232 0.0708 0.0334
Plasmodium vivax polyprenol reductase, putative 0.0232 0.0708 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Echinococcus granulosus poly ADP ribose polymerase 1 0.0145 0.0405 0.0398
Echinococcus granulosus neuroglian 0.0063 0.0118 0.0093
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0151 0.0425 0.0699
Trypanosoma brucei polo-like protein kinase 0.273 0.9454 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0038 0.003 0.0032
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0232 0.0708 0.12
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Brugia malayi nuclear receptor NHR-88 0.0038 0.003 0.0032
Schistosoma mansoni nuclear hormone receptor 0.0038 0.003 0.0018
Plasmodium falciparum polyprenol reductase, putative 0.0232 0.0708 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Echinococcus multilocularis synaptic glycoprotein sc2 0.0232 0.0708 0.0735
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.003 0.0032
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0038 0.003 0.0018
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.273 0.9454 1
Brugia malayi hypothetical protein 0.0052 0.008 0.0085
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0032 0.0056
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1247 0.4261 0.4489
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0069 0.0138 0.0126
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.1647 0.5662 0.5988
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0038 0.003 0.0032
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0176 0.0186
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0572 0.19 0.2009
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0038 0.003 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.003 0.0032
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0038 0.003 0.0018
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.273 0.9454 1
Onchocerca volvulus 0.0498 0.1638 0.1706
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0052 0.008 0.0067
Loa Loa (eye worm) cytochrome P450 family protein 0.0062 0.0115 0.0121
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0038 0.003 0.0018
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0038 0.003 0.0018
Echinococcus granulosus Immunoglobulin 0.0052 0.008 0.0053
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.008 0.0085
Schistosoma mansoni retinoic acid receptor RXR 0.0038 0.003 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0038 0.003 0.0018
Mycobacterium ulcerans hypothetical protein 0.1647 0.5662 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0232 0.0708 0.0748
Schistosoma mansoni poly [ADP-ribose] polymerase 0.008 0.0176 0.0164
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.008 0.0176 0.0172
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.003 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.003 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.003 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1647 0.5662 0.5975
Loa Loa (eye worm) hypothetical protein 0.0232 0.0708 0.0748
Schistosoma mansoni RAR-like nuclear receptor 0.0038 0.003 0.0018
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0053 0.0084 0.0089
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) hypothetical protein 0.008 0.0176 0.0186
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0475 0.156 0.1623
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0053 0.0084 0.0089
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0232 0.0708 0.0717
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0017 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0038 0.003 0.0032
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0073 0.0077
Schistosoma mansoni nephrin 0.0063 0.0118 0.0106
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0032 0.5
Giardia lamblia Kinase, PLK 0.273 0.9454 1
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.0708 0.0748
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0052 0.008 0.0067
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0039 0.0032 0.0056
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0038 0.003 0.0032
Brugia malayi serine/threonine-protein kinase plk-2 0.273 0.9454 1
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0232 0.0708 0.0696
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) hypothetical protein 0.046 0.1508 0.1595
Echinococcus multilocularis neuroglian 0.0063 0.0118 0.0111
Trypanosoma cruzi polo-like protein kinase, putative 0.273 0.9454 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Brugia malayi WGR domain containing protein 0.008 0.0176 0.0186
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0232 0.0708 0.0717
Schistosoma mansoni serine/threonine protein kinase 0.273 0.9454 0.9454
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus granulosus roundabout 2 0.0077 0.0167 0.0145
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0052 0.008 0.0071
Echinococcus multilocularis FTZ F1 alpha 0.0038 0.003 0.0018
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1647 0.5662 0.5988
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0073 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0038 0.003 0.0032
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0232 0.0708 0.0719
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus multilocularis Immunoglobulin 0.0052 0.008 0.0071
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0053 0.0084 0.0071
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0053 0.0084 0.0057
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0232 0.0708 0.0717
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0053 0.0084 0.0089
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0038 0.003 0.0032
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0053 0.0084 0.0089
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Schistosoma mansoni hypothetical protein 0.0034 0.0017 0.0005
Schistosoma mansoni vesicular amine transporter 0.0052 0.008 0.0067
Loa Loa (eye worm) hypothetical protein 0.0034 0.0017 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0038 0.003 0.0032
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.0708 0.0717
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Brugia malayi steroid hormone receptor 0.0038 0.003 0.0032
Brugia malayi nuclear hormone receptor 0.0038 0.003 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0084 0.0055
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0232 0.0708 0.0717
Echinococcus granulosus synaptic glycoprotein sc2 0.0232 0.0708 0.0719
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.008 0.0176 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.003 0.0032
Brugia malayi WGR domain containing protein 0.0145 0.0405 0.0429
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Brugia malayi photoreceptor-specific nuclear receptor 0.0038 0.003 0.0032
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.1647 0.5662 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.1647 0.5662 0.5988
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0475 0.156 0.1638
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0038 0.003 0.0018
Onchocerca volvulus Tyrosine kinase homolog 0.0517 0.1706 0.1778
Schistosoma mansoni coup transcription factor 0.0038 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0066 0.0129 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0038 0.003 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0038 0.003 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.0708 0.0717
Echinococcus granulosus poly adp ribose polymerase 2 0.008 0.0176 0.0155
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.1647 0.5662 0.5975
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0053 0.0084 0.0089
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.273 0.9454 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0038 0.003 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0038 0.003 0.0032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0052 0.008 0.0085
Brugia malayi Synaptic glycoprotein SC2 0.0232 0.0708 0.0748
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0232 0.0708 0.12
Loa Loa (eye worm) hypothetical protein 0.0422 0.1373 0.1452
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Schistosoma mansoni thyroid hormone receptor 0.0038 0.003 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.1091 0.3716 0.3909
Trypanosoma cruzi polo-like protein kinase, putative 0.273 0.9454 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.1647 0.5662 0.5988
Entamoeba histolytica serine/threonine protein kinase, putative 0.273 0.9454 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.003 0.0032
Schistosoma mansoni cell adhesion molecule 0.0066 0.0129 0.0116
Echinococcus multilocularis Immunoglobulin 0.0052 0.008 0.0071
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) steroid hormone receptor 0.0038 0.003 0.0032
Entamoeba histolytica hypothetical protein 0.0232 0.0708 0.0334
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0232 0.0708 0.0735
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0032 0.0056
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0232 0.0708 1
Echinococcus granulosus defective proboscis extension response 0.0052 0.008 0.0053
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0038 0.003 0.0032
Echinococcus granulosus serine:threonine protein kinase PLK1 0.273 0.9454 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.1647 0.5662 0.5809
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.003 0.0032
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0038 0.003 0.0018
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0035 0.0021 0.0022
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0053 0.0084 0.0055
Loa Loa (eye worm) hypothetical protein 0.0038 0.003 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.273 0.9454 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0053 0.0084 0.0055
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0053 0.0084 0.0089
Echinococcus granulosus twitchin 0.0074 0.0155 0.0133
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0053 0.0084 0.0075
Schistosoma mansoni amine GPCR 0.0175 0.0508 0.0496
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0073 0.0077
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.008 0.0085
Echinococcus multilocularis roundabout 2 0.0077 0.0167 0.0163

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 30 uM Compound was evaluated for the inhibition of cell proliferation of human cervix epithelioid carcinoma, HeLa (ATCC CCL2). ChEMBL. No reference
IC50 (functional) = 35 uM Compound was evaluated for the inhibition of cell proliferation of human ocular lens epithelium (CECH). ChEMBL. No reference
IC50 (functional) = 53 uM Compound was evaluated for the inhibition of cell proliferation of human hepatocellular carcinoma, HepG2 (ATCC HB8065). ChEMBL. No reference
IC50 (functional) > 75 uM Inhibitory activity against tetracycline uptake in everted membrane vesicles derived from Tc-resistant Escherichia coli bearing class B tetracycline resistance efflux protein (Tet) ChEMBL. 8176712
Log Kmemb = -2.8 Calculated membrane partition coefficient (Kmemb) ChEMBL. 15027870
MIC (functional) = 0.5 ug ml-1 The compound was tested for minimal inhibitory concentration against N. gonorrhoeae ChEMBL. 12161151
MIC (functional) = 2 ug ml-1 The compound was tested for minimal inhibitory concentration against E. coli ChEMBL. 12161151
MIC (functional) = 4 ug ml-1 The compound was tested for minimal inhibitory concentration against H. ducreyi ChEMBL. 12161151
MIC (functional) = 8 ug ml-1 The compound was tested for minimal inhibitory concentration against Bacillus subtilis ChEMBL. 12161151
MIC (functional) = 8 ug ml-1 The compound was tested for minimal inhibitory concentration against M. luteus ChEMBL. 12161151
MIC (functional) = 8 ug ml-1 The compound was tested for minimal inhibitory concentration against S. aureus ChEMBL. 12161151
MIC (functional) = 8 ug ml-1 The compound was tested for minimal inhibitory concentration against Enterobacter sp. ChEMBL. 12161151
MIC (functional) = 8 ug ml-1 The compound was tested for minimal inhibitory concentration against P. aeruginosa ChEMBL. 12161151
MIC (functional) > 32 ug ml-1 The compound was tested for minimal inhibitory concentration against Penicillinase producing N. gonorrhoeae (PPNG) ChEMBL. 12161151
MIC (functional) > 32 ug ml-1 The compound was tested for minimal inhibitory concentration against Resistant S. aureus ChEMBL. 12161151
MIC (functional) > 32 ug ml-1 The compound was tested for minimal inhibitory concentration against Resistant P. aeruginosa ChEMBL. 12161151
MNTC (functional) = 40 uM Compound was evaluated for the cytotoxicity against human cervix epithelioid carcinoma, HeLa (ATCC CCL2). ChEMBL. No reference
MNTC (functional) = 60 uM Compound was evaluated for the cytotoxicity against human hepatocellular carcinoma, HepG2 (ATCC HB8065) ChEMBL. No reference
MNTC (functional) = 60 uM Compound was evaluated for the cytotoxicity against human ocular lens epithelium (CECH). ChEMBL. No reference
Ratio (functional) = 0.66 Cytotoxicity ratio for Human hepatocellular carcinoma, HepG2 (ATCC HB 8065) cells ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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