Detailed information for compound 176883

Basic information

Technical information
  • TDR Targets ID: 176883
  • Name: (3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20- tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2 ,2-dimethyloxirane
  • MW: 438.728 | Formula: C31H50O
  • H donors: 0 H acceptors: 0 LogP: 10.69 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C/C(=C\CC/C(=C/CC/C=C(/CC/C=C(/CC[C@@H]1OC1(C)C)\C)\C)/C)/CCC=C(C)C
  • InChi: 1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
  • InChiKey: ATMHMBRPCUZUGJ-WKMIMHNDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S)-2,2-dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,20-tetramethyl-16-vinyl-henicosa-3,7,11,15,19-pentaenyl]oxirane
  • (3S)-2,2-dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,20-tetramethyl-16-vinylhenicosa-3,7,11,15,19-pentaenyl]oxirane
  • (3S)-3-[(3E,7E,11E,15Z)-16-ethenyl-3,7,12,20-tetramethyl-henicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyl-oxirane

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Lanosterol synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma brucei gambiense lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma cruzi lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma congolense lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma brucei lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Candida albicans 2,3-oxidosqualene-lanosterol cyclase Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania donovani lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania infantum lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania braziliensis lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma cruzi lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Candida albicans 2,3-oxidosqualene-lanosterol cyclase Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania major lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
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
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Echinococcus multilocularis adam 17 protease 0.0189 0.0128 0.0128
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0224 0.0198 0.0198
Schistosoma mansoni cell adhesion molecule 0.0126 0.0005 0.0008
Echinococcus granulosus tyrosine protein kinase otk 0.0224 0.0198 0.0193
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.2559 0.4763 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0126 0.0005 0.0007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0166 0.0084 0.0133
Schistosoma mansoni tyrosine kinase 0.1765 0.3211 0.508
Schistosoma mansoni vesicular amine transporter 0.0448 0.0635 0.1004
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0126 0.0005 0.0008
Echinococcus multilocularis neuroglian 0.0485 0.0706 0.0706
Echinococcus granulosus twitchin 0.0485 0.0706 0.0702
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Schistosoma mansoni tyrosine kinase 0.1765 0.3211 0.508
Brugia malayi Matrixin family protein 0.1446 0.2587 0.3763
Schistosoma mansoni netrin receptor unc5 0.0126 0.0005 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1819 0.3316 0.3313
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0211 0.0172 0.0272
Schistosoma mansoni septate junction protein 0.0224 0.0198 0.0313
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0568 0.0869 0.2148
Loa Loa (eye worm) LAD-2 short isoform 0.0126 0.0005 0.0007
Schistosoma mansoni dihydroceramide desaturase 0.0143 0.0038 0.006
Loa Loa (eye worm) hypothetical protein 0.0512 0.076 0.1105
Loa Loa (eye worm) immunoglobulin domain-containing protein 0.0126 0.0005 0.0007
Echinococcus multilocularis leucine rich repeat containing protein 4 0.0126 0.0005 0.0005
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0126 0.0005 0.0008
Schistosoma mansoni roundabout 0.0224 0.0198 0.0313
Brugia malayi ADAM-TS Spacer 1 family protein 0.027 0.0286 0.0416
Echinococcus granulosus insulin receptor 0.1096 0.1902 0.1898
Loa Loa (eye worm) hypothetical protein 0.027 0.0286 0.0416
Schistosoma mansoni septate junction protein 0.0224 0.0198 0.0313
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0386 0.0514 0.0812
Echinococcus multilocularis sodium channel protein 0.0959 0.1633 0.1633
Brugia malayi Hemopexin family protein 0.1863 0.3402 0.4949
Brugia malayi Furin-like cysteine rich region family protein 0.3356 0.6321 0.9195
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0116 0.1027
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0264 0.0275 0.04
Echinococcus multilocularis Immunoglobulin subtype 0.0126 0.0005 0.0005
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1232 0.2169 0.3431
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Mycobacterium ulcerans hydrolase 0.1707 0.3097 0.5
Loa Loa (eye worm) reprolysin 0.0211 0.0172 0.025
Echinococcus granulosus defective proboscis extension response 0.0386 0.0514 0.0509
Echinococcus multilocularis Immunoglobulin 0.0126 0.0005 0.0005
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0224 0.0198 0.0313
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0126 0.0005 0.0005
Onchocerca volvulus Matrilysin homolog 0.1446 0.2587 0.3977
Schistosoma mansoni basigin related 0.0126 0.0005 0.0008
Loa Loa (eye worm) TK/ROR protein kinase 0.0152 0.0057 0.0083
Echinococcus granulosus neuroglian 0.0485 0.0706 0.0702
Echinococcus multilocularis neuroglian 0.0224 0.0198 0.0198
Schistosoma mansoni septate junction protein 0.0126 0.0005 0.0008
Loa Loa (eye worm) hypothetical protein 0.0158 0.0068 0.0099
Brugia malayi hypothetical protein 0.0126 0.0005 0.0007
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0152 0.0057 0.0052
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0224 0.0198 0.0287
Brugia malayi Immunoglobulin domain containing protein 0.0126 0.0005 0.0007
Onchocerca volvulus 0.1446 0.2587 0.3977
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0224 0.0197 0.0311
Echinococcus granulosus adam 0.0246 0.0239 0.0234
Schistosoma mansoni tyrosine kinase 0.1819 0.3316 0.5246
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Echinococcus multilocularis peroxidasin 0.0224 0.0198 0.0198
Echinococcus multilocularis tyrosine protein kinase otk 0.0224 0.0198 0.0198
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0386 0.0514 0.0812
Echinococcus multilocularis roundabout 2 0.0224 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Echinococcus multilocularis epidermal growth factor receptor 0.3356 0.6321 0.6321
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0224 0.0198 0.0198
Brugia malayi ADAMTS-like protease 0.0141 0.0035 0.0051
Brugia malayi Immunoglobulin I-set domain containing protein 0.0152 0.0057 0.0083
Schistosoma mansoni tyrosine kinase 0.1096 0.1902 0.301
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.5237 1 1
Brugia malayi basement membrane proteoglycan precursor 0.0126 0.0005 0.0007
Echinococcus granulosus contactin 0.0224 0.0198 0.0193
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0126 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0126 0.0005 0.0007
Loa Loa (eye worm) matrixin family protein 0.353 0.6662 0.9691
Loa Loa (eye worm) TK/INSR protein kinase 0.1096 0.1902 0.2767
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Onchocerca volvulus Matrilysin homolog 0.3374 0.6356 1
Brugia malayi hypothetical protein 0.0246 0.0239 0.0347
Echinococcus granulosus epidermal growth factor receptor 0.1819 0.3316 0.3313
Echinococcus multilocularis roundabout 2 0.0224 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.1667 0.3018 0.4391
Echinococcus multilocularis hemicentin 1 0.0224 0.0198 0.0198
Schistosoma mansoni cell adhesion molecule 0.0224 0.0198 0.0313
Schistosoma mansoni netrin receptor unc5 0.0126 0.0005 0.0008
Schistosoma mansoni neuroglian 0.0224 0.0198 0.0313
Echinococcus granulosus sodium channel protein 0.0959 0.1633 0.1629
Schistosoma mansoni cell adhesion molecule 0.0126 0.0005 0.0008
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0126 0.0005 0.0008
Echinococcus granulosus roundabout 2 0.0224 0.0198 0.0193
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Schistosoma mansoni hypothetical protein 0.1863 0.3402 0.5383
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Schistosoma mansoni peroxidasin 0.0126 0.0005 0.0008
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0224 0.0198 0.0198
Echinococcus granulosus roundabout 2 0.061 0.0952 0.0948
Brugia malayi basement membrane proteoglycan 0.0126 0.0005 0.0007
Schistosoma mansoni tyrosine kinase 0.1765 0.3211 0.508
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0246 0.0239 0.0378
Brugia malayi Prion-like- 0.0224 0.0198 0.0287
Loa Loa (eye worm) hypothetical protein 0.0138 0.0028 0.004
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0211 0.0172 0.0167
Loa Loa (eye worm) hypothetical protein 0.0491 0.072 0.1047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0005 0.0007
Brugia malayi Reprolysin 0.0131 0.0016 0.0023
Echinococcus multilocularis hemicentin 1 0.0228 0.0205 0.0205
Schistosoma mansoni titin 0.0228 0.0205 0.0324
Brugia malayi Heparan sulfate 0.0126 0.0005 0.0007
Echinococcus multilocularis epidermal growth factor receptor 0.1819 0.3316 0.3316
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0166 0.0084 0.0079
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Brugia malayi Matrixin family protein 0.1446 0.2587 0.3763
Loa Loa (eye worm) TK/EGFR protein kinase 0.3356 0.6321 0.9195
Brugia malayi hypothetical protein 0.0386 0.0514 0.0747
Loa Loa (eye worm) hypothetical protein 0.0126 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.1446 0.2587 0.3763
Echinococcus granulosus neuroglian 0.0224 0.0198 0.0193
Loa Loa (eye worm) hypothetical protein 0.1707 0.3097 0.4505
Echinococcus granulosus adam 17 protease 0.0269 0.0284 0.0279
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0126 0.0005 0.0008
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0224 0.0198 0.0193
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Mycobacterium leprae PROBABLE HYDROLASE 0.1707 0.3097 0.5
Brugia malayi Immunoglobulin domain containing protein 0.0126 0.0005 0.0007
Brugia malayi Matrixin family protein 0.353 0.6662 0.9691
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0116 0.1027
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0224 0.0198 0.016
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Brugia malayi angiogenesis inhibito 0.0141 0.0035 0.0051
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Brugia malayi Matrixin family protein 0.1446 0.2587 0.3763
Schistosoma mansoni tyrosine kinase 0.1096 0.1902 0.301
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0126 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0005 0.0007
Loa Loa (eye worm) TK/KIN16 protein kinase 0.3639 0.6874 1
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1667 0.3018 0.4775
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Loa Loa (eye worm) hypothetical protein 0.061 0.0952 0.1385
Onchocerca volvulus Matrix metalloproteinase homolog 0.3153 0.5925 0.931
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0224 0.0198 0.0313
Brugia malayi Immunoglobulin I-set domain containing protein 0.0386 0.0514 0.0747
Echinococcus multilocularis Immunoglobulin 0.0386 0.0514 0.0514
Schistosoma mansoni polycystin 1-related 0.0225 0.0199 0.0314
Echinococcus granulosus lachesin 0.0224 0.0198 0.0193
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0224 0.0198 0.0287
Schistosoma mansoni cell adhesion molecule 0.0512 0.076 0.1202
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0126 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.061 0.0952 0.1385
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Schistosoma mansoni tyrosine kinase 0.3356 0.6321 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1707 0.3097 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.1282 0.2265 0.3583
Schistosoma mansoni cell adhesion molecule 0.0224 0.0198 0.0313
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0959 0.1633 0.1629
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Echinococcus granulosus roundabout 2 0.0224 0.0198 0.0193
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Schistosoma mansoni hypothetical protein 0.0126 0.0005 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0005 0.0007
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1707 0.3097 0.4505
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0512 0.076 0.0755
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0213 0.0176 0.0171
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0213 0.0176 0.0176
Brugia malayi Peroxidasin 0.0224 0.0198 0.0287
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0224 0.0198 0.0198
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1096 0.1902 0.1898
Loa Loa (eye worm) hypothetical protein 0.1446 0.2587 0.3763
Onchocerca volvulus Tyrosine kinase homolog 0.3226 0.6066 0.9536
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Schistosoma mansoni nephrin 0.0485 0.0706 0.1117
Trypanosoma cruzi lanosterol synthase, putative 0.0415 0.0569 0.5
Trypanosoma brucei lanosterol synthase 0.0415 0.0569 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0264 0.0275 0.04
Brugia malayi Matrixin family protein 0.1446 0.2587 0.3763
Trypanosoma cruzi lanosterol synthase, putative 0.0415 0.0569 0.5
Echinococcus granulosus peroxidasin 0.0224 0.0198 0.0193
Schistosoma mansoni septate junction protein 0.0126 0.0005 0.0008
Echinococcus multilocularis disintegrin and metalloproteinase 0.0143 0.0038 0.0038
Echinococcus multilocularis cell adhesion molecule:down regulated by 0.0126 0.0005 0.0005
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1096 0.1902 0.1902
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Schistosoma mansoni tyrosine kinase 0.1819 0.3316 0.5246
Brugia malayi Immunoglobulin I-set domain containing protein 0.3639 0.6874 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.0514 0.0747
Loa Loa (eye worm) matrix metalloproteinase 0.1446 0.2587 0.3763
Brugia malayi Fibronectin type III domain containing protein 0.0386 0.0514 0.0747
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0386 0.0514 0.0514
Echinococcus granulosus epidermal growth factor receptor 0.3356 0.6321 0.6319
Brugia malayi Immunoglobulin domain containing protein 0.0126 0.0005 0.0007
Schistosoma mansoni tyrosine kinase 0.0278 0.0303 0.0479
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0126 0.0005 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.013 0.0012 0.0018
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Echinococcus multilocularis insulin receptor 0.1096 0.1902 0.1902
Schistosoma mansoni nephrin 0.0224 0.0198 0.0313
Echinococcus multilocularis Immunoglobulin 0.0386 0.0514 0.0514
Loa Loa (eye worm) hypothetical protein 0.0126 0.0005 0.0007
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0166 0.0084 0.0084
Echinococcus multilocularis Immunoglobulin 0.0126 0.0005 0.0005
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0211 0.0172 0.0272
Loa Loa (eye worm) hypothetical protein 0.0126 0.0005 0.0007
Loa Loa (eye worm) matrixin family protein 0.3153 0.5925 0.8619
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0189 0.0128 0.0202
Loa Loa (eye worm) hypothetical protein 0.0224 0.0198 0.0287
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Loa Loa (eye worm) TK protein kinase 0.0152 0.0057 0.0083
Onchocerca volvulus 0.1863 0.3402 0.528
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0152 0.0057 0.0057
Echinococcus granulosus hemicentin 1 0.0228 0.0205 0.02
Echinococcus multilocularis 0.1028 0.1769 0.1769
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0959 0.1633 1
Echinococcus granulosus disintegrin and metalloproteinase 0.0143 0.0038 0.0033
Onchocerca volvulus 0.3073 0.5768 0.906
Schistosoma mansoni cell adhesion molecule 0.0224 0.0198 0.0313
Schistosoma mansoni basigin related 0.0126 0.0005 0.0008
Echinococcus multilocularis netrin receptor unc 5 0.0126 0.0005 0.0005
Brugia malayi Protein kinase domain containing protein 0.1096 0.1902 0.2767
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Echinococcus multilocularis lachesin 0.0224 0.0198 0.0198
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0224 0.0198 0.0198
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0224 0.0198 0.0287
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.0275 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0224 0.0198 0.0287
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0211 0.0172 0.0172
Echinococcus granulosus Immunoglobulin 0.0386 0.0514 0.0509
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Schistosoma mansoni basigin related 0.0126 0.0005 0.0008
Echinococcus multilocularis roundabout 2 0.061 0.0952 0.0952
Loa Loa (eye worm) hypothetical protein 0.0126 0.0005 0.0007
Schistosoma mansoni nephrin related 0.0126 0.0005 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0224 0.0198 0.0287
Echinococcus multilocularis adam 0.0246 0.0239 0.0239
Brugia malayi Disintegrin family protein 0.0143 0.0038 0.0055

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.3 uM Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was determined ChEMBL. No reference
IC50 (binding) = 0.3 uM Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was determined ChEMBL. No reference
IC50 (binding) = 0.5 uM Compound concentration that cause 50% inhibition of pig liver oxidosqualene cyclase (OSC) was determined ChEMBL. No reference
IC50 (binding) = 0.5 uM Compound concentration that cause 50% inhibition of pig liver oxidosqualene cyclase (OSC) was determined ChEMBL. No reference
K inact (binding) = 232 min-1 Rate of inactivation of rat oxidosqualene cyclase expressed as Kinact ChEMBL. No reference
K inact (binding) = 232 min-1 Rate of inactivation of rat oxidosqualene cyclase expressed as Kinact ChEMBL. No reference
Ki (binding) = 2.5 uM Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC) ChEMBL. No reference
Ki (binding) = 2.5 uM Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC) 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

No literature references available for this target.

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