Detailed information for compound 1681468

Basic information

Technical information
  • TDR Targets ID: 1681468
  • Name: 9-[(2R,3S,5S)-3-fluoro-5-[(2-methyl-9-oxo-8,1 0-dioxa-9$l^{5}-phosphabicyclo[4.4.0]deca-1,3 ,5-trien-9-yl)oxymethyl]oxolan-2-yl]purin-6-a mine
  • MW: 435.346 | Formula: C18H19FN5O5P
  • H donors: 1 H acceptors: 4 LogP: 1.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2c1OP(=O)(OC[C@H]1O[C@H]([C@H](C1)F)n1cnc3c1ncnc3N)OC2
  • InChi: 1S/C18H19FN5O5P/c1-10-3-2-4-11-6-26-30(25,29-15(10)11)27-7-12-5-13(19)18(28-12)24-9-23-14-16(20)21-8-22-17(14)24/h2-4,8-9,12-13,18H,5-7H2,1H3,(H2,20,21,22)/t12-,13-,18+,30?/m0/s1
  • InChiKey: FYTFCQRUFXWTCM-JWZWCXEXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-[(2R,3S,5S)-3-fluoro-5-[(2-methyl-9-oxo-8,10-dioxa-9$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-trien-9-yl)oxymethyl]tetrahydrofuran-2-yl]purin-6-amine
  • 9-[(2R,3S,5S)-3-fluoro-5-[(2-methyl-9-oxo-8,10-dioxa-9$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-trien-9-yl)oxymethyl]-2-tetrahydrofuranyl]-6-purinamine
  • [9-[(2R,3S,5S)-3-fluoro-5-[(9-keto-2-methyl-8,10-dioxa-9$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-trien-9-yl)oxymethyl]tetrahydrofuran-2-yl]purin-6-yl]amine
  • 3-((3-(6-Aminopurin-9-yl)-4-fluoro(2-oxolanyl))methoxy)-5-methyl-4-oxa-3-phosphaisochroman-3-one
  • 3-Me-cycloSal-F-ara-ddAMP
  • AIDS-058001
  • AIDS058001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens butyrylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear hormone receptor family member odr-7 0.0199 0.1264 0.1839
Echinococcus granulosus geminin 0.0173 0.1049 0.1473
Loa Loa (eye worm) nuclear hormone receptor 0.0199 0.1264 0.1839
Echinococcus multilocularis acetylcholinesterase 0.0618 0.4777 0.7826
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0421 0.3128 0.7038
Trichomonas vaginalis glycogen phosphorylase, putative 0.0554 0.4245 1
Brugia malayi ecdysone receptor 0.0199 0.1264 0.1839
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0222 0.1463 0.2179
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0199 0.1264 0.1839
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0105 0.0476 0.1122
Echinococcus granulosus FTZ F1 alpha 0.0421 0.3128 0.5017
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.077 0.6052 1
Schistosoma mansoni RAR-like nuclear receptor 0.0421 0.3128 0.2786
Echinococcus granulosus BC026374 protein S09 family 0.0104 0.0474 0.0493
Brugia malayi Carboxylesterase family protein 0.0618 0.4777 0.7826
Echinococcus multilocularis ecdysone induced protein 78C 0.0421 0.3128 0.5017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0421 0.3128 0.5017
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0421 0.3128 0.5017
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0421 0.3128 0.2786
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0421 0.3128 0.2786
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0421 0.3128 0.5017
Brugia malayi Nuclear hormone receptor-like 1 0.0421 0.3128 0.5017
Onchocerca volvulus Bile acid receptor homolog 0.0421 0.3128 0.7038
Schistosoma mansoni thyroid hormone receptor 0.0421 0.3128 0.2786
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0086 0.0318 0.075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0199 0.1264 0.1839
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0421 0.3128 0.5017
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0108 0.0503 0.5
Brugia malayi Nuclear hormone receptor E75 0.0199 0.1264 0.1839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0421 0.3128 0.5017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0421 0.3128 0.5017
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0222 0.1463 0.1039
Schistosoma mansoni nuclear receptor 0.0199 0.1264 0.0829
Brugia malayi ecdysteroid receptor 0.0421 0.3128 0.5017
Schistosoma mansoni steroid hormone receptor ad4bp 0.0421 0.3128 0.2786
Echinococcus multilocularis para nitrobenzyl esterase 0.0104 0.0474 0.0493
Echinococcus granulosus glycogen phosphorylase 0.0554 0.4245 0.6921
Brugia malayi conserved hypotetical protein 0.0199 0.1264 0.1839
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0226 0.149 0.1067
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0421 0.3128 0.2786
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Brugia malayi nuclear hormone receptor 0.0421 0.3128 0.5017
Brugia malayi hypothetical protein 0.0222 0.1463 0.2179
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0199 0.1264 0.1839
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0104 0.0474 0.0493
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Brugia malayi nuclear receptor NHR-88 0.0421 0.3128 0.5017
Echinococcus multilocularis BC026374 protein (S09 family) 0.0104 0.0474 0.0493
Loa Loa (eye worm) hypothetical protein 0.0618 0.4777 0.7826
Brugia malayi Nuclear hormone receptor E75 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Onchocerca volvulus Protein ultraspiracle homolog 0.0421 0.3128 0.7038
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0199 0.1264 0.1839
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0421 0.3128 0.5017
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0421 0.3128 0.5017
Schistosoma mansoni nuclear receptor 0.0199 0.1264 0.0829
Brugia malayi Carboxylesterase family protein 0.0104 0.0474 0.0493
Echinococcus granulosus Nuclear hormone receptor HR96 0.0199 0.1264 0.1839
Loa Loa (eye worm) carboxylesterase 0.0618 0.4777 0.7826
Brugia malayi Steroid receptor seven-up type 2 0.0421 0.3128 0.5017
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0199 0.1264 0.0829
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0199 0.1264 0.0829
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.077 0.6052 1
Brugia malayi hypothetical protein 0.0104 0.0474 0.0493
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Brugia malayi nuclear hormone receptor family member nhr-6 0.0199 0.1264 0.1839
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0421 0.3128 0.5017
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0421 0.3128 0.5017
Brugia malayi Carboxylesterase family protein 0.0104 0.0474 0.0493
Brugia malayi nuclear receptor NHR-67 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Echinococcus granulosus acetylcholinesterase 0.0618 0.4777 0.7826
Brugia malayi carbohydrate phosphorylase 0.0554 0.4245 0.6921
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0421 0.3128 0.5017
Schistosoma mansoni retinoic acid receptor RXR 0.0421 0.3128 0.2786
Echinococcus granulosus neuroligin 0.0104 0.0474 0.0493
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0421 0.3128 0.5017
Schistosoma mansoni zinc finger protein 0.0199 0.1264 0.0829
Echinococcus multilocularis acetylcholinesterase 0.0618 0.4777 0.7826
Echinococcus multilocularis FTZ F1 alpha 0.0421 0.3128 0.5017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0421 0.3128 0.5017
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0222 0.1463 0.2179
Echinococcus granulosus glycogen phosphorylase 0.0554 0.4245 0.6921
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0618 0.4777 0.4517
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0108 0.0503 0.0543
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0199 0.1264 0.1839
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0421 0.3128 0.5017
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0095 0.0395 0.0359
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0104 0.0474 0.0631
Echinococcus multilocularis nuclear receptor nhr 48 0.0199 0.1264 0.1839
Schistosoma mansoni thyroid hormone receptor 0.0421 0.3128 0.2786
Loa Loa (eye worm) hypothetical protein 0.0222 0.1463 0.2179
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Brugia malayi Carboxylesterase family protein 0.0104 0.0474 0.0493
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0199 0.1264 0.2094
Echinococcus multilocularis glycogen phosphorylase 0.0554 0.4245 0.6921
Entamoeba histolytica glycogen phosphorylase, putative 0.0554 0.4245 1
Schistosoma mansoni nuclear hormone receptor 0.0199 0.1264 0.0829
Schistosoma mansoni nuclear hormone receptor 0.0199 0.1264 0.0829
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0421 0.3128 0.5017
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0104 0.0474 0.0493
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.024 0.1608 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0108 0.0503 0.0703
Brugia malayi nuclear receptor RXR 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0222 0.1463 0.2179
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0222 0.1463 0.2179
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0199 0.1264 0.1839
Chlamydia trachomatis glycogen phosphorylase 0.0554 0.4245 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0421 0.3128 0.5017
Brugia malayi Carboxylesterase family protein 0.0104 0.0474 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0421 0.3128 0.5017
Brugia malayi hypothetical protein 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Loa Loa (eye worm) glycogen phosphorylase 0.0554 0.4245 0.6921
Brugia malayi Protein-tyrosine phosphatase containing protein 0.077 0.6052 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0222 0.1463 0.1039
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0108 0.0503 0.0703
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0222 0.1463 0.2179
Echinococcus multilocularis Glycosyl transferase, family 35 0.0554 0.4245 0.6921
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0421 0.3128 0.2786
Brugia malayi nuclear receptor NHR-88 0.0199 0.1264 0.1839
Entamoeba histolytica hypothetical protein 0.0086 0.0318 0.075
Schistosoma mansoni glycogen phosphorylase 0.024 0.1608 0.119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0222 0.1463 0.2179
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.024 0.1608 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Entamoeba histolytica glycogen phosphorylase, putative 0.024 0.1608 0.3788
Loa Loa (eye worm) hypothetical protein 0.0222 0.1463 0.2179
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Echinococcus granulosus ecdysone induced protein 78C 0.0421 0.3128 0.5017
Entamoeba histolytica glycogen phosphorylase, putative 0.0554 0.4245 1
Loa Loa (eye worm) DR-78 0.0199 0.1264 0.1839
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0203 0.1299 0.0867
Schistosoma mansoni glycogen phosphorylase 0.0554 0.4245 0.3959
Trypanosoma brucei RNA helicase, putative 0.0113 0.0543 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.1049 0.0603
Brugia malayi hypothetical protein 0.0199 0.1264 0.1839
Onchocerca volvulus 0.0199 0.1264 0.2094
Echinococcus multilocularis geminin 0.0173 0.1049 0.1473
Echinococcus granulosus Glycosyl transferase family 35 0.0554 0.4245 0.6921
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0421 0.3128 0.5017
Entamoeba histolytica glycogenphosphorylase, putative 0.024 0.1608 0.3788
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0421 0.3128 0.2786
Loa Loa (eye worm) nuclear receptor NHR-67 0.0199 0.1264 0.1839
Loa Loa (eye worm) acetylcholinesterase 1 0.0618 0.4777 0.7826
Brugia malayi nuclear hormone receptor 0.0199 0.1264 0.1839
Loa Loa (eye worm) phosphatidylinositol 3 0.0181 0.1115 0.1585
Schistosoma mansoni hypothetical protein 0.0173 0.1049 0.0603
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Echinococcus granulosus carboxylesterase 5A 0.0618 0.4777 0.7826
Loa Loa (eye worm) hypothetical protein 0.0104 0.0474 0.0493
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0421 0.3128 0.5017
Brugia malayi photoreceptor-specific nuclear receptor 0.0421 0.3128 0.5017
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0108 0.0503 0.0703
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Loa Loa (eye worm) steroid hormone receptor 0.0421 0.3128 0.5017
Loa Loa (eye worm) carboxylesterase 0.0104 0.0474 0.0493
Schistosoma mansoni glycogen phosphorylase 0.0554 0.4245 0.3959
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0199 0.1264 0.1839
Echinococcus granulosus para nitrobenzyl esterase 0.0104 0.0474 0.0493
Echinococcus multilocularis glycogen phosphorylase 0.0554 0.4245 0.6921
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0108 0.0503 0.1185
Schistosoma mansoni hypothetical protein 0.0113 0.0543 0.0073
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0421 0.3128 0.5017
Brugia malayi tailless protein 0.0199 0.1264 0.1839
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0421 0.3128 0.5017
Brugia malayi Carboxylesterase family protein 0.0618 0.4777 0.7826
Trichomonas vaginalis glycogen phosphorylase, putative 0.0554 0.4245 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0421 0.3128 0.5017
Brugia malayi steroid hormone receptor 0.0421 0.3128 0.5017
Schistosoma mansoni nuclear hormone receptor 0.0421 0.3128 0.2786
Echinococcus granulosus nuclear receptor nhr 48 0.0199 0.1264 0.1839
Echinococcus multilocularis thyroid hormone receptor alpha 0.0421 0.3128 0.5017
Brugia malayi orphan nuclear receptor NR2E1 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.077 0.6052 0.5855
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0203 0.1299 0.19
Schistosoma mansoni nuclear receptor nhr-48 0.0199 0.1264 0.0829
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0421 0.3128 0.5017
Echinococcus granulosus Nuclear hormone receptor HR96 0.0199 0.1264 0.1839
Loa Loa (eye worm) hypothetical protein 0.0421 0.3128 0.5017
Echinococcus granulosus thyroid hormone receptor alpha 0.0199 0.1264 0.1839
Onchocerca volvulus 0.0199 0.1264 0.2094
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0199 0.1264 0.2094
Loa Loa (eye worm) hypothetical protein 0.0618 0.4777 0.7826
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0421 0.3128 0.5017
Brugia malayi Nuclear hormone receptor-like 1 0.0222 0.1463 0.2179
Onchocerca volvulus 0.0421 0.3128 0.7038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0421 0.3128 0.5017
Schistosoma mansoni coup transcription factor 0.0421 0.3128 0.2786
Giardia lamblia Glycogen phosphorylase 0.0554 0.4245 1
Brugia malayi Nuclear hormone receptor-like 1 0.0222 0.1463 0.2179
Brugia malayi hypothetical protein 0.0222 0.1463 0.2179
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0199 0.1264 0.1839
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0203 0.1299 0.19
Brugia malayi nuclear receptor RXR 0.0222 0.1463 0.2179
Echinococcus multilocularis carboxylesterase 5A 0.0618 0.4777 0.7826
Onchocerca volvulus Glycogen phosphorylase homolog 0.0554 0.4245 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0421 0.3128 0.5017
Loa Loa (eye worm) hypothetical protein 0.0199 0.1264 0.1839
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0108 0.0503 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.077 0.6052 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0421 0.3128 0.2786
Echinococcus granulosus acetylcholinesterase 0.0618 0.4777 0.7826
Echinococcus multilocularis neuroligin 0.0104 0.0474 0.0493
Loa Loa (eye worm) carboxylesterase 0.0104 0.0474 0.0493
Entamoeba histolytica glycogen phosphorylase, putative 0.024 0.1608 0.3788
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0421 0.3128 0.5017
Trichomonas vaginalis spcc417.12 protein, putative 0.0104 0.0474 0.0631

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 146 uM Cytotoxic concentration of the compound in Wild Type CEM cells ChEMBL. 10229630
EC50 (functional) = 3.3 uM Antiviral activity evaluated as the ability to inhibit the replication of HIV-2 in human T-lymphocytic cells (CEM) ChEMBL. 10229630
EC50 (functional) = 3.67 uM Anti-HIV-1 activity tested in human lymphocytic CEM cells ChEMBL. 15139762
EC50 (functional) = 3.67 uM Antiviral activity evaluated as the ability to inhibit the replication of HIV-1 in human T-lymphocytic cells (CEM) ChEMBL. 10229630
IC50 (binding) = 5 uM Inhibitory activity towards human butrylcholinesterase ChEMBL. 15139762
IC50 (binding) > 50 uM Inhibitory activity towards Electrophorus electricus acetylcholinesterase ChEMBL. 15139762
IC50 (binding) > 50 uM Inhibitory activity of the compound towards mouse butrylcholinesterase ChEMBL. 15139762
IC50 (binding) > 50 uM Inhibitory activity of the compound towards calf serum acetylcholinesterase ChEMBL. 15139762
IC50 (binding) > 50 uM Inhibitory activity of the compound towards beef erythrocytes acetylcholinesterase ChEMBL. 15139762

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10229630

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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