Detailed information for compound 1085505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 821.047 | Formula: C41H76N2O14
  • H donors: 6 H acceptors: 7 LogP: 2.24 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C(C)C)C)[C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]1(C)O)O)C)OCC(=O)N)C)(C)O
  • InChi: 1S/C41H76N2O14/c1-15-28-41(12,50)34(46)23(6)32(52-19-29(42)44)21(4)17-39(10,49)36(57-38-31(45)27(16-22(5)53-38)43(13)20(2)3)24(7)33(25(8)37(48)55-28)56-30-18-40(11,51-14)35(47)26(9)54-30/h20-28,30-36,38,45-47,49-50H,15-19H2,1-14H3,(H2,42,44)/t21-,22-,23+,24+,25-,26+,27+,28-,30+,31-,32+,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
  • InChiKey: GZHOJHFTKMXQGH-OLKBRDBOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Motilin receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus thyrotropin releasing hormone receptor Motilin receptor   400 aa 358 aa 28.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Motilin receptor   400 aa 358 aa 28.2 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Motilin receptor   400 aa 398 aa 22.9 %
Echinococcus granulosus allatostatin A receptor Motilin receptor   400 aa 362 aa 23.2 %
Echinococcus multilocularis allatostatin A receptor Motilin receptor   400 aa 362 aa 23.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Motilin receptor   400 aa 341 aa 24.6 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Motilin receptor   400 aa 397 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0199 0.0461
Leishmania major cytochrome p450-like protein 0.013 0.0637 0.3383
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.017 0.0868
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0071 0.0301 0.2103
Entamoeba histolytica hypothetical protein 0.0035 0.0096 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0128 1
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0687 0.3823 0.4648
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.2544 0.2543
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0071 0.0301 0.2103
Mycobacterium tuberculosis Conserved hypothetical protein 0.0181 0.0931 0.6657
Mycobacterium tuberculosis Conserved protein 0.0041 0.0128 0.0857
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0071 0.0301 0.157
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0071 0.0301 0.2103
Loa Loa (eye worm) hypothetical protein 0.0772 0.4308 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0071 0.0301 0.2103
Brugia malayi Cytochrome P450 family protein 0.013 0.0637 0.1477
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0071 0.0301 0.2103
Leishmania major cytochrome p450-like protein 0.0071 0.0301 0.157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0176 0.0203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0199 0.0461
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0071 0.0301 0.2103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0128 0.0145
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0071 0.0301 0.2103
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0071 0.0301 0.2579
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.001 0.5
Schistosoma mansoni hypothetical protein 0.0157 0.0794 0.0956
Onchocerca volvulus Matrilysin homolog 0.0179 0.0915 0.3874
Schistosoma mansoni cpg binding protein 0.0061 0.0242 0.0284
Mycobacterium ulcerans hydrolase 0.0218 0.1138 1
Mycobacterium leprae Conserved hypothetical protein 0.0071 0.0301 0.1707
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0128 0.064
Loa Loa (eye worm) hypothetical protein 0.0768 0.4285 0.9947
Brugia malayi beta-lactamase 0.0041 0.0128 0.0298
Brugia malayi beta-lactamase family protein 0.0041 0.0128 0.0298
Entamoeba histolytica hypothetical protein 0.0035 0.0096 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0071 0.0301 0.2579
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0649 0.3608 0.3607
Echinococcus granulosus survival motor neuron protein 1 0.0772 0.4308 0.5244
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0071 0.0301 0.2103
Loa Loa (eye worm) hypothetical protein 0.0053 0.0199 0.0458
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0825 0.4403
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0128 0.064
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0128 0.0298
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0071 0.0301 0.157
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0344 0.1863 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0128 0.1052
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0768 0.4285 0.5216
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0071 0.0301 0.2103
Loa Loa (eye worm) matrix metalloproteinase 0.0179 0.0915 0.2122
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0071 0.0301 0.2103
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0071 0.0301 0.157
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0128 0.0295
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0128 0.0857
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0071 0.0301 0.2103
Loa Loa (eye worm) hypothetical protein 0.0179 0.0915 0.2122
Schistosoma mansoni hypothetical protein 0.0035 0.0096 0.0105
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0268 0.1396
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.001 0.0019
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.001 0.0022
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Onchocerca volvulus 0.0253 0.1342 0.5976
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0128 0.0857
Brugia malayi Matrixin family protein 0.0179 0.0915 0.2124
Entamoeba histolytica hypothetical protein 0.0035 0.0096 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0128 0.0857
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0071 0.0301 0.2579
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0649 0.3608 0.4391
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0071 0.0301 0.2579
Brugia malayi Cytochrome P450 family protein 0.013 0.0637 0.1477
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0128 1
Brugia malayi Cytochrome P450 family protein 0.0199 0.1032 0.2396
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0071 0.0301 0.2579
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0268 0.2294
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0096 0.0105
Echinococcus multilocularis microtubule associated protein 2 0.0738 0.4117 0.4116
Mycobacterium leprae PROBABLE HYDROLASE 0.0218 0.1138 1
Mycobacterium leprae putative cytochrome p450 0.0071 0.0301 0.1707
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.2544 0.2543
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.2544 0.3095
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0071 0.0301 0.2579
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0268 0.0325
Echinococcus granulosus adam 17 protease 0.1455 0.8215 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0915 0.2122
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0128 0.0857
Echinococcus granulosus neuropeptide s receptor 0.0463 0.2544 0.3095
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0071 0.0301 0.157
Toxoplasma gondii hypothetical protein 0.0056 0.0211 0.3699
Schistosoma mansoni hypothetical protein 0.0036 0.0102 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0176 0.0175
Onchocerca volvulus 0.0179 0.0915 0.3874
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0071 0.0301 0.2103
Echinococcus granulosus dnaJ subfamily B 0.0869 0.4862 0.5918
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0128 0.1052
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0071 0.0301 0.2579
Echinococcus multilocularis dnaJ subfamily B 0.0869 0.4862 0.4861
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0218 0.1138 0.8153
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0071 0.0301 0.2579
Leishmania major cytochrome p450-like protein 0.0071 0.0301 0.157
Toxoplasma gondii ABC1 family protein 0.0041 0.0128 0.2178
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0071 0.0301 0.2103
Brugia malayi Matrixin family protein 0.0179 0.0915 0.2124
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0096 0.0115
Toxoplasma gondii cytochrome p450 superfamily protein 0.0071 0.0301 0.5341
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0059 0.0229 0.0529
Entamoeba histolytica hypothetical protein 0.0035 0.0096 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0071 0.0301 0.2579
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.0825 0.4403
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0071 0.0301 0.2103
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0071 0.0301 0.2103
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0268 0.2294
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0199 0.0458
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0071 0.0301 0.2579
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0071 0.0301 0.157
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0128 0.064
Schistosoma mansoni survival motor neuron protein 0.0157 0.0794 0.0956
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0071 0.0301 0.2579
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0128 1
Brugia malayi Matrixin family protein 0.0179 0.0915 0.2124
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0687 0.3823 0.8874
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0128 1
Loa Loa (eye worm) matrixin family protein 0.0432 0.2364 0.5485
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0128 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0268 0.0315
Brugia malayi CXXC zinc finger family protein 0.0061 0.0242 0.0562
Echinococcus multilocularis 0.0071 0.0301 0.0299
Schistosoma mansoni hypothetical protein 0.0071 0.0301 0.0355
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0128 0.0145
Schistosoma mansoni cpg binding protein 0.0064 0.0262 0.0308
Onchocerca volvulus 0.0061 0.0242 0.0562
Loa Loa (eye worm) beta-lactamase 0.0041 0.0128 0.0295
Onchocerca volvulus Matrix metalloproteinase homolog 0.0396 0.2159 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.001 0.5
Brugia malayi hypothetical protein 0.0772 0.4308 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0687 0.3823 0.4653
Schistosoma mansoni cpg binding protein 0.0064 0.0262 0.0308
Brugia malayi Matrixin family protein 0.0179 0.0915 0.2124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0176 0.0212
Echinococcus multilocularis adam 17 protease 0.1455 0.8215 0.8215
Schistosoma mansoni hypothetical protein 0.0253 0.1342 0.1624
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0268 0.0267
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0071 0.0301 0.2103
Leishmania major hypothetical protein, conserved 0.0041 0.0128 0.064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0176 0.0405
Loa Loa (eye worm) cytochrome P450 family protein 0.0199 0.1032 0.2393
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.001 0.5
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0071 0.0301 0.2579
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.017 0.0868
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0071 0.0301 0.2579
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0262 0.1393 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0128 0.1052
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.001 0.0008
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.1455 0.8215 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0128 0.1052
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.001 0.5
Echinococcus granulosus cpg binding protein 0.0064 0.0262 0.0318
Echinococcus granulosus cytochrome P450 2K1 0.0071 0.0301 0.0364
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0344 0.1863 1
Brugia malayi Matrixin family protein 0.0432 0.2364 0.5487
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0102 0.0237
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0071 0.0301 0.2579
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0268 0.187
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0268 0.2294
Brugia malayi Hemopexin family protein 0.0253 0.1342 0.3115
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0128 0.0857
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0242 0.0559
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0071 0.0301 0.2579
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0825 0.4403
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0128 0.0857
Trypanosoma brucei cytochrome P450, putative 0.013 0.0637 0.3383
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0157 0.0794 0.1843
Echinococcus granulosus microtubule associated protein 2 0.0738 0.4117 0.5011
Loa Loa (eye worm) cytochrome P450 family protein 0.013 0.0637 0.1475
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0071 0.0301 0.2579
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0128 0.0857
Mycobacterium ulcerans hypothetical protein 0.0181 0.0931 0.8165
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0071 0.0301 0.2579
Loa Loa (eye worm) cytochrome P450 0.0071 0.0301 0.0695
Brugia malayi Cytochrome P450 family protein 0.0071 0.0301 0.0698
Onchocerca volvulus Matrilysin homolog 0.0396 0.2159 1
Loa Loa (eye worm) cytochrome P450 family protein 0.013 0.0637 0.1475
Schistosoma mansoni cytochrome P450 0.0071 0.0301 0.0355
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0261 0.1387 0.1678
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.0554 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0128 0.0857
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0344 0.1863 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0231 0.1194
Brugia malayi beta-lactamase family protein 0.0041 0.0128 0.0298
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0128 0.0857
Loa Loa (eye worm) hypothetical protein 0.0218 0.1138 0.2639
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0768 0.4285 0.4284
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0176 0.0408
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0268 0.0315
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0071 0.0301 0.2103
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0268 0.475
Schistosoma mansoni hypothetical protein 0.0869 0.4862 0.5914
Onchocerca volvulus 0.0157 0.0794 0.3277
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0128 1
Trypanosoma cruzi cytochrome P450, putative 0.013 0.0637 0.3383
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0071 0.0301 0.2103
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0071 0.0301 0.2103
Loa Loa (eye worm) hypothetical protein 0.0036 0.0102 0.0234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0176 0.0203
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.017 0.0868
Echinococcus multilocularis survival motor neuron protein 1 0.0772 0.4308 0.4307
Leishmania major mitochondrial DNA polymerase beta 0.0344 0.1863 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0915 0.2122
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.017 0.0868
Loa Loa (eye worm) CYP4Cod1 0.013 0.0637 0.1475
Brugia malayi cytochrome P450 0.0071 0.0301 0.0698
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0071 0.0301 0.2579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0176 0.0203
Trypanosoma cruzi cytochrome P450, putative 0.013 0.0637 0.3383
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0096 0.0095
Loa Loa (eye worm) matrixin family protein 0.0396 0.2159 0.5011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0176 0.0175
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0071 0.0301 0.2579
Echinococcus multilocularis cpg binding protein 0.0064 0.0262 0.0261
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0129 0.0633 0.076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0176 0.0212
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0687 0.3823 0.3822
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0128 0.0127
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0071 0.0301 0.2579
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.013 0.0637 0.5557
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0295
Brugia malayi hypothetical protein 0.0035 0.0096 0.0223
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0128 0.0154
Trichomonas vaginalis esterase, putative 0.0041 0.0128 1
Schistosoma mansoni microtubule-associated protein tau 0.0738 0.4117 0.5006
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0218 0.1138 0.2641
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0071 0.0301 0.2103
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0179 0.0915 0.1104
Mycobacterium ulcerans lipase LipD 0.0041 0.0128 0.1052

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 92 % Agonist activity at motilin receptor in rabbit smooth muscle assessed as tachyphylaxis at EC90 concentration after 4th dose ChEMBL. 19821563
EC50 (functional) = 52 nM Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction ChEMBL. 19821563
EC50 (functional) = 52 nM Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction ChEMBL. 21570844
Inhibition (binding) = 10 % Inhibition of human ERG expressed in HEK cells at 30 uM ChEMBL. 19821563
Inhibition (binding) = 29 % Inhibition of human ERG at 300 uM ChEMBL. 21570844
Inhibition (binding) = 51 % Inhibition of human ERG expressed in HEK cells at 300 uM ChEMBL. 19821563

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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