Detailed information for compound 1835044

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 664.876 | Formula: C36H49FN6O3S
  • H donors: 1 H acceptors: 3 LogP: 4.86 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCN(CC1)c1c(F)cccc1C1SC(C(=O)N1CCC(C)(C)C)CC(=O)N1CCC(CC1)N1CCc2c(NC1=O)cccc2
  • InChi: 1S/C36H49FN6O3S/c1-36(2,3)15-19-43-33(45)30(47-34(43)27-9-7-10-28(37)32(27)41-22-20-39(4)21-23-41)24-31(44)40-16-13-26(14-17-40)42-18-12-25-8-5-6-11-29(25)38-35(42)46/h5-11,26,30,34H,12-24H2,1-4H3,(H,38,46)
  • InChiKey: JCRAXGYBNYHQTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcitonin receptor-like 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
Loa Loa (eye worm) pigment dispersing factor receptor c calcitonin receptor-like 461 aa 434 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0147 0.0323 0.0317
Brugia malayi Will die slowly protein 0.1107 0.2948 0.3042
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.05 0.1288 0.3393
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0042 0.0024
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0042 0.004
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0317 0.079 0.1476
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0163 0.0369 0.1199
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0035 0.0018
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.05 0.1288 0.2068
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0495 0.1277 0.1261
Plasmodium falciparum plasmepsin VIII, putative 0.0108 0.0218 0.0136
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2668 0.7215 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0121 0.0107
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0533 0.1375
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0129 0.0276 0.042
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0042 0.0146
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.05 0.1288 0.2068
Loa Loa (eye worm) hypothetical protein 0.0163 0.0369 0.0365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Trypanosoma brucei unspecified product 0.0923 0.2446 0.2433
Brugia malayi aspartic protease BmAsp-1, identical 0.0108 0.0218 0.0207
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0129 0.0276 0.0258
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0163 0.0369 0.2049
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0317 0.079 0.1258
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0108 0.0218 0.0207
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0042 0.0024
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0129 0.0276 0.0688
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0129 0.0276 0.042
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0317 0.079 0.0774
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0129 0.0276 0.0259
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0018 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.0142
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0495 0.1277 0.4296
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0129 0.0276 0.0358
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0129 0.0276 0.0258
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0073 0.0121 0.0637
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1404 0.3761 1
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0163 0.0369 0.0352
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0108 0.0218 0.0739
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0129 0.0276 0.042
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0129 0.0276 0.0217
Plasmodium falciparum plasmepsin III 0.0108 0.0218 0.0136
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0163 0.0369 0.0352
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0018 0.0000071616
Toxoplasma gondii ABC1 family protein 0.0035 0.0018 0.0007
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.05 0.1288 0.3393
Mycobacterium ulcerans pyruvate carboxylase 0.1404 0.3761 1
Leishmania major carboxylase, putative 0.1404 0.3761 0.375
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.05 0.1288 0.3393
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0129 0.0276 0.0688
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0129 0.0276 0.0688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0017 0.0059
Schistosoma mansoni aspartate carbamoyltransferase 0.0317 0.079 0.0774
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0042 0.0024
Loa Loa (eye worm) hypothetical protein 0.0129 0.0276 0.0267
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.05 0.1288 0.1278
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Plasmodium falciparum plasmepsin VI 0.0108 0.0218 0.0136
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0495 0.1277 0.7755
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1404 0.3761 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0129 0.0276 0.0265
Brugia malayi beta-lactamase family protein 0.0035 0.0018 0.0000074241
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1404 0.3761 1
Schistosoma mansoni cathepsin D (A01 family) 0.0108 0.0218 0.02
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.05 0.1288 0.3393
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0042 0.0025
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.05 0.1288 0.1272
Brugia malayi DNA polymerase alpha catalytic subunit 0.0163 0.0369 0.0365
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0163 0.0369 0.0352
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0042 0.0146
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0129 0.0276 0.0259
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0129 0.0276 0.0258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0495 0.1277 0.1629
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0495 0.1277 0.1261
Brugia malayi hypothetical protein 0.0108 0.0218 0.0207
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0018
Onchocerca volvulus 0.0108 0.0218 0.0681
Chlamydia trachomatis biotin carboxylase 0.1275 0.3408 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0218 0.0207
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0042 0.0024
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0163 0.0369 0.0353
Schistosoma mansoni hypothetical protein 0.1107 0.2948 0.2935
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0129 0.0276 0.042
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0163 0.0369 0.1253
Loa Loa (eye worm) aspartyl protease 6 0.0108 0.0218 0.0207
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0018 0.0001
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0129 0.0276 0.0267
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0129 0.0276 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0087 0.0072
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.0073 0.0121 0.0104
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0163 0.0369 0.0365
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3558 0.9647 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0042 0.0024
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0108 0.0218 0.0207
Toxoplasma gondii pyruvate carboxylase 0.1404 0.3761 0.3754
Loa Loa (eye worm) hypothetical protein 0.006 0.0087 0.0072
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0163 0.0369 0.0573
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0163 0.0369 0.1253
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0129 0.0276 0.0258
Onchocerca volvulus 0.1107 0.2948 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Plasmodium falciparum plasmepsin V 0.0108 0.0218 0.0136
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1404 0.3761 1
Giardia lamblia DNA polymerase alpha subunit A 0.0073 0.0121 0.0498
Plasmodium falciparum plasmepsin X 0.0108 0.0218 0.0136
Trichomonas vaginalis esterase, putative 0.0035 0.0018 0.0061
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0163 0.0369 0.0488
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0163 0.0369 0.0352
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0163 0.0369 0.0488
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0018 0.0061
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0129 0.0276 0.0259
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0129 0.0276 0.0265
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0042 0.0025
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1404 0.3761 0.375
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0129 0.0276 0.0688
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0129 0.0276 0.0265
Plasmodium vivax aspartyl protease, putative 0.0108 0.0218 0.0277
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0495 0.1277 0.205
Trichomonas vaginalis WD repeat domain, putative 0.1107 0.2948 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1404 0.3761 0.375
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1404 0.3761 0.6093
Plasmodium vivax plasmepsin IV, putative 0.0108 0.0218 0.0277
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0495 0.1277 0.1261
Trypanosoma cruzi acetyl-CoA carboxylase 0.2283 0.6161 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Echinococcus granulosus Biotin lipoyl attachment 0.0129 0.0276 0.0258
Brugia malayi hypothetical protein 0.0108 0.0218 0.0207
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.05 0.1288 0.3393
Brugia malayi Eukaryotic aspartyl protease family protein 0.0108 0.0218 0.0207
Toxoplasma gondii aspartyl protease 0.0108 0.0218 0.0207
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0018 0.0001
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0129 0.0276 0.0259
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0108 0.0218 0.0207
Plasmodium vivax DNA polymerase alpha, putative 0.0163 0.0369 0.0488
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0495 0.1277 0.1749
Loa Loa (eye worm) hypothetical protein 0.0129 0.0276 0.0267
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0129 0.0276 0.0259
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0129 0.0276 0.0688
Loa Loa (eye worm) hypothetical protein 0.0129 0.0276 0.0267
Schistosoma mansoni memapsin-2 (A01 family) 0.2688 0.7271 0.7266
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0629 0.1641 1
Onchocerca volvulus 0.0147 0.0323 0.1042
Echinococcus granulosus protein will die slowly 0.1107 0.2948 0.2935
Plasmodium falciparum plasmepsin I 0.0108 0.0218 0.0136
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0163 0.0369 0.0352
Entamoeba histolytica DNA polymerase zeta catalytic subunit, putative 0.0073 0.0121 0.0637
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0317 0.079 0.1073
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0018 0.0000071616
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0129 0.0276 0.0267
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0018 0.0000071616
Toxoplasma gondii DNA polymerase 0.0495 0.1277 0.1267
Plasmodium falciparum carbamoyl phosphate synthetase 0.0317 0.079 0.0943
Brugia malayi beta-lactamase 0.0035 0.0018 0.0000074241
Leishmania major carbamoyl-phosphate synthase, putative 0.0317 0.079 0.0774
Loa Loa (eye worm) WD40 repeat protein 0.1107 0.2948 0.3042
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0129 0.0276 0.0258
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0163 0.0369 0.0353
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0163 0.0369 0.1199
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1404 0.3761 0.375
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0129 0.0276 0.0258
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0129 0.0276 0.0265
Toxoplasma gondii aspartyl protease ASP1 0.0108 0.0218 0.0207
Loa Loa (eye worm) hypothetical protein 0.0108 0.0218 0.0207
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0129 0.0276 0.0217
Plasmodium vivax aspartyl protease, putative 0.0108 0.0218 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0017 0.0059
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0163 0.0369 0.0352
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0405 0.1029 0.1646
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0495 0.1277 0.1261
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.05 0.1288 0.2068
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0087 0.0072
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0091 0.0171 0.0579
Brugia malayi beta-lactamase family protein 0.0035 0.0018 0.0000074241
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0018 0.0000071616
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1404 0.3761 0.375
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.05 0.1288 0.1272
Brugia malayi hypothetical protein 0.0147 0.0323 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0017 0.0059
Toxoplasma gondii carbamoylphosphate synthetase 0.0317 0.079 0.078
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.05 0.1288 0.3393
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.05 0.1288 0.1273
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0129 0.0276 0.0267
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0163 0.0369 0.0353
Plasmodium falciparum plasmepsin IX 0.0108 0.0218 0.0136
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0163 0.0369 0.1253
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0129 0.0276 0.042
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0163 0.0369 0.0352
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0163 0.0369 0.0353
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0042 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0018 0.0061
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0317 0.079 0.0774
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.05 0.1288 0.3393
Brugia malayi DNA polymerase delta catalytic subunit 0.0495 0.1277 0.1307
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0108 0.0218 0.0207
Brugia malayi Pepsin A precursor 0.0108 0.0218 0.0207
Treponema pallidum pyruvate carboxylase subunit B 0.0129 0.0276 0.5
Trypanosoma cruzi DNA polymerase zeta catalytic subunit, putative 0.0073 0.0121 0.0169
Schistosoma mansoni pyruvate carboxylase 0.1404 0.3761 0.375
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0317 0.079 0.0774
Brugia malayi Carboxyl transferase domain containing protein 0.3558 0.9647 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.05 0.1288 0.3393
Plasmodium falciparum plasmepsin IV 0.0108 0.0218 0.0136
Toxoplasma gondii DNA polymerase family B protein 0.0163 0.0369 0.0359
Plasmodium vivax aspartyl proteinase, putative 0.0108 0.0218 0.0277
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1404 0.3761 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Brugia malayi DNA polymerase family B containing protein 0.0163 0.0369 0.0365
Onchocerca volvulus DNA polymerase homolog 0.0163 0.0369 0.1199
Plasmodium falciparum plasmepsin VII 0.0108 0.0218 0.0136
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1404 0.3761 0.375
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0129 0.0276 0.0258
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.05 0.1288 0.3233
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0495 0.1277 0.4332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Loa Loa (eye worm) hypothetical protein 0.0091 0.0171 0.0158
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1404 0.3761 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0129 0.0276 0.042
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0042 0.004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0018 0.0000074241
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0091 0.0171 0.0158
Brugia malayi aspartic protease BmAsp-2, identical 0.0108 0.0218 0.0207
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0073 0.0121 0.0107
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0108 0.0218 0.02
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0163 0.0369 0.0573
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0129 0.0276 0.0688
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0129 0.0276 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0121 0.0412
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0129 0.0276 0.0688
Schistosoma mansoni cathepsin D (A01 family) 0.0108 0.0218 0.02
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0495 0.1277 0.1261
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0495 0.1277 0.1307
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0317 0.079 0.2063
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0163 0.0369 0.0352
Loa Loa (eye worm) hypothetical protein 0.0073 0.0121 0.0107
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0018 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0003 0.0009
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.05 0.1288 0.3393
Loa Loa (eye worm) hypothetical protein 0.0091 0.0171 0.0158
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0163 0.0369 0.0353
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0163 0.0369 0.0359
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0163 0.0369 0.0573
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0091 0.0171 0.0069
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0629 0.1641 1
Plasmodium falciparum plasmepsin II 0.0108 0.0218 0.0136
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0129 0.0276 0.0259
Loa Loa (eye worm) hypothetical protein 0.0108 0.0218 0.0207
Leishmania major propionyl-coa carboxylase beta chain, putative 0.05 0.1288 0.1273
Leishmania major hypothetical protein, conserved 0.0035 0.0018 0.0001
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0042 0.0024
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0129 0.0276 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0024 0.0083
Plasmodium vivax aspartyl protease, putative 0.0108 0.0218 0.0277
Plasmodium vivax plasmepsin V, putative 0.0108 0.0218 0.0277
Echinococcus multilocularis protein will die slowly 0.1107 0.2948 0.2935
Onchocerca volvulus 0.0108 0.0218 0.0681
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1404 0.3761 0.6093
Trichomonas vaginalis DNA polymerase II, putative 0.0163 0.0369 0.1253
Toxoplasma gondii DNA polymerase family B protein 0.0073 0.0121 0.011
Echinococcus multilocularis Biotin lipoyl attachment 0.0129 0.0276 0.0258
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0317 0.079 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0042 0.0142
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0108 0.0218 0.02
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.05 0.1288 0.3393
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.05 0.1288 0.1272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0017 0.0059
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1404 0.3761 0.375
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0129 0.0276 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0017 0.0059
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0163 0.0369 0.0352
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.05 0.1288 0.1273
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0129 0.0276 0.0217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0011 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0087 0.0072
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0495 0.1277 0.7721
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2668 0.7215 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1404 0.3761 0.375
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.05 0.1288 0.2905
Plasmodium vivax aspartyl proteinase, putative 0.0108 0.0218 0.0277
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1404 0.3761 1
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0129 0.0276 0.0259
Toxoplasma gondii aspartyl protease ASP3 0.0108 0.0218 0.0207
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0108 0.0218 0.02
Schistosoma mansoni hypothetical protein 0.0041 0.0035 0.0017
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.05 0.1288 0.3393
Mycobacterium ulcerans hypothetical protein 0.0129 0.0276 0.0688
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0129 0.0276 0.0258

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.003 uM Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins followed by CGRP addition measured after 3 hrs by beta-lactamase reporter gene-based FRET assay ChEMBL. 24405707
Ki (binding) = 0.0005 uM Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured after 2 hrs by liquid scintillation counting ChEMBL. 24405707

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

1 literature reference was collected for this gene.

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