Detailed information for compound 1037457

Basic information

Technical information
  • TDR Targets ID: 1037457
  • Name: 3-acetyl-N-[(2S,3R)-1-(3,5-difluorophenyl)-3- hydroxy-4-[(3-methoxyphenyl)methylamino]butan -2-yl]-5-(methylsulfonyl-phenylamino)benzamid e
  • MW: 651.72 | Formula: C34H35F2N3O6S
  • H donors: 3 H acceptors: 5 LogP: 4.23 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc(c1)CNC[C@H]([C@@H](NC(=O)c1cc(cc(c1)N(S(=O)(=O)C)c1ccccc1)C(=O)C)Cc1cc(F)cc(c1)F)O
  • InChi: 1S/C34H35F2N3O6S/c1-22(40)25-16-26(18-30(17-25)39(46(3,43)44)29-9-5-4-6-10-29)34(42)38-32(15-24-12-27(35)19-28(36)13-24)33(41)21-37-20-23-8-7-11-31(14-23)45-2/h4-14,16-19,32-33,37,41H,15,20-21H2,1-3H3,(H,38,42)/t32-,33+/m0/s1
  • InChiKey: BGEADCXJYGZUSB-JHOUSYSJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-acetyl-N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-(methylsulfonyl-phenyl-amino)benzamide
  • 3-acetyl-N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-(methylsulfonyl-phenylamino)benzamide
  • 3-acetyl-N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-5-(mesyl-phenyl-amino)benzamide
  • N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-ethanoyl-5-(methylsulfonyl-phenyl-amino)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens beta-site APP-cleaving enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative Get druggable targets OG5_135830 All targets in OG5_135830
Schistosoma mansoni memapsin-2 (A01 family) Get druggable targets OG5_135830 All targets in OG5_135830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin VII beta-site APP-cleaving enzyme 1 401 aa 352 aa 21.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0048
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Brugia malayi aspartic protease BmAsp-1, identical 0.0021 0.0131 0.0229
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0174 0.0171
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1303 0.1303
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0056 0.0057
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.016 0.013
Brugia malayi beta-lactamase 0.0035 0.0363 0.0758
Loa Loa (eye worm) beta-lactamase 0.0035 0.0363 0.0363
Brugia malayi Ets-domain containing protein 0.0077 0.1032 0.2283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0363 0.036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0056 0.0057
Echinococcus granulosus muscleblind protein 0.0145 0.2111 0.2105
Echinococcus multilocularis muscleblind protein 1 0.0145 0.2111 0.2105
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0053
Brugia malayi RNA, U transporter 1 0.0171 0.2516 0.5669
Loa Loa (eye worm) hypothetical protein 0.0213 0.3194 0.3194
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0363 0.036
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0213 0.3194 0.3297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1303 0.1301
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0062 0.0059
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0053 0.0053
Loa Loa (eye worm) aspartyl aminopeptidase 0.0213 0.3194 0.3194
Trichomonas vaginalis esterase, putative 0.0035 0.0363 0.0756
Leishmania major hypothetical protein, conserved 0.0035 0.0363 0.0342
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1303 0.1296
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0087 0.1182 0.3429
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Loa Loa (eye worm) acetyltransferase 0.029 0.4414 0.4414
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0053
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.016 0.0152
Brugia malayi beta-lactamase family protein 0.0035 0.0363 0.0758
Brugia malayi intermediate filament protein 0.0027 0.0233 0.046
Leishmania major cytochrome p450-like protein 0.0016 0.0053 0.0019
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0213 0.3194 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.078 0.0777
Brugia malayi Fli-1 protein 0.0235 0.3543 0.8012
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0062 0.0054
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.01 0.139 0.4109
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.016 0.016
Schistosoma mansoni cpg binding protein 0.0029 0.0261 0.0258
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0363 0.0756
Brugia malayi Aspartyl aminopeptidase 0.0213 0.3194 0.7217
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1303 0.1301
Loa Loa (eye worm) hypothetical protein 0.006 0.0754 0.0754
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.3407 0.6606
Toxoplasma gondii HEAT repeat-containing protein 0.006 0.0754 0.4977
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.016 0.0152
Loa Loa (eye worm) hypothetical protein 0.0213 0.3194 0.3194
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.0008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0363 0.0758
Trichomonas vaginalis conserved hypothetical protein 0.01 0.139 0.4109
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0573 0.1442
Onchocerca volvulus 0.0035 0.0363 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0325 0.4971 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0355 0.0355
Brugia malayi hypothetical protein 0.0021 0.0131 0.0229
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0617 0.9618 1
Leishmania major mitochondrial DNA polymerase beta 0.0617 0.9618 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0021 0.0131 0.0124
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0363 0.0342
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0363 0.0756
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0861 0.0854
Loa Loa (eye worm) bromodomain containing protein 0.0024 0.0184 0.0184
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0213 0.3194 0.3192
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0355 0.0347
Schistosoma mansoni cpg binding protein 0.0033 0.0317 0.0314
Echinococcus granulosus cpg binding protein 0.0033 0.0317 0.0309
Echinococcus multilocularis cpg binding protein 0.0033 0.0317 0.0309
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0824 0.5535
Trichomonas vaginalis hypothetical protein 0.01 0.139 0.4109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0106 0.1481 0.1509
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0355 0.0739
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0072 0.0065
Schistosoma mansoni ran 0.0023 0.016 0.0157
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0363 0.0355
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0292 0.4446 0.4602
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0021 0.0131 0.0131
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0363 0.0756
Brugia malayi beta-lactamase family protein 0.0035 0.0363 0.0758
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0213 0.3194 0.3297
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0087 0.1179 0.1194
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0617 0.9618 1
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0053 0.0019
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0573 0.0561
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0048
Schistosoma mansoni zinc finger protein 0.0028 0.024 0.0237
Echinococcus granulosus lamin dm0 0.0027 0.0233 0.0225
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0612 0.1326
Echinococcus multilocularis GPCR, family 2 0.0016 0.0056 0.0048
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0363 0.0756
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0072 0.0069
Brugia malayi PHD-finger family protein 0.0033 0.0323 0.0665
Echinococcus granulosus histone acetyltransferase KAT2B 0.0087 0.1182 0.1175
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0754 0.075
Brugia malayi Cytochrome P450 family protein 0.0016 0.0053 0.0051
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0072 0.0065
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0363 0.0756
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0174 0.0166
Onchocerca volvulus 0.0027 0.0233 0.4375
Schistosoma mansoni intermediate filament proteins 0.0027 0.0233 0.023
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0363 0.063
Echinococcus multilocularis musashi 0.0027 0.0233 0.0225
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Brugia malayi aspartic protease BmAsp-2, identical 0.0021 0.0131 0.0229
Brugia malayi Bromodomain containing protein 0.0082 0.1098 0.2434
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0213 0.3194 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0087 0.1179 0.1194
Loa Loa (eye worm) aspartyl protease 6 0.0021 0.0131 0.0131
Leishmania major importin beta-1 subunit, putative 0.0049 0.0573 0.0561
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0174 0.0166
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0573 0.1442
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0053 0.0019
Echinococcus multilocularis muscleblind protein 0.0145 0.2111 0.2105
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0062 0.0059
Mycobacterium ulcerans lipase LipD 0.0035 0.0363 0.063
Giardia lamblia Histone acetyltransferase GCN5 0.0078 0.1033 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0261 0.0525
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0056 0.0056
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0213 0.3194 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0292 0.4446 0.4602
Loa Loa (eye worm) hypothetical protein 0.0145 0.2111 0.2111
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0053
Loa Loa (eye worm) hypothetical protein 0.0037 0.0392 0.0392
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0087 0.1182 0.8397
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0087 0.1179 0.1194
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0213 0.3194 0.3297
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0087 0.1179 0.1194
Schistosoma mansoni importin beta-1 0.006 0.0754 0.0751
Entamoeba histolytica hypothetical protein 0.0049 0.0573 0.1363
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0021 0.0131 0.0131
Trichomonas vaginalis bromodomain-containing protein, putative 0.0087 0.1182 0.3429
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0363 0.0756
Echinococcus granulosus aspartyl aminopeptidase 0.0213 0.3194 0.3189
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.016 0.0092
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0213 0.3194 0.3297
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0021 0.0131 0.0124
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0233 0.0233
Schistosoma mansoni lamin 0.0027 0.0233 0.023
Loa Loa (eye worm) hypothetical protein 0.0047 0.0541 0.0541
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0233 0.046
Plasmodium falciparum importin beta, putative 0.006 0.0754 0.2033
Schistosoma mansoni ets-related 0.0235 0.3543 0.3541
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0213 0.3194 0.3297
Onchocerca volvulus 0.0035 0.0363 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.1032 0.1032
Mycobacterium ulcerans hypothetical protein 0.0325 0.4971 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.029 0.4414 0.4412
Entamoeba histolytica acetyltransferase, GNAT family 0.0078 0.1033 0.2877
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.016 0.013
Echinococcus multilocularis zinc finger protein 0.0028 0.024 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0853 0.0853
Schistosoma mansoni cpg binding protein 0.0033 0.0317 0.0314
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0087 0.1182 0.8397
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0062 0.0054
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1303 0.2903
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0213 0.3194 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1303 0.1296
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.01 0.139 0.4109
Loa Loa (eye worm) fli-1 protein 0.0235 0.3543 0.3543
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0261 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0072 0.0069
Loa Loa (eye worm) hypothetical protein 0.0027 0.0225 0.0225
Trichomonas vaginalis ran, putative 0.0023 0.016 0.0092
Brugia malayi Eukaryotic aspartyl protease family protein 0.0021 0.0131 0.0229
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.016 0.013
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0072
Schistosoma mansoni bromodomain containing protein 0.007 0.0917 0.0914
Schistosoma mansoni hypothetical protein 0.0035 0.0355 0.0352
Echinococcus granulosus zinc finger protein 0.0028 0.024 0.0232
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0363 0.063
Schistosoma mansoni hypothetical protein 0.002 0.0118 0.0115
Schistosoma mansoni cathepsin D (A01 family) 0.0021 0.0131 0.0128
Loa Loa (eye worm) hypothetical protein 0.0051 0.0612 0.0612
Echinococcus multilocularis lamin dm0 0.0027 0.0233 0.0225
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0053 0.0019
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0056
Schistosoma mansoni memapsin-2 (A01 family) 0.0521 0.8093 0.8092
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0213 0.3194 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0131
Plasmodium falciparum histone acetyltransferase GCN5 0.0078 0.1033 0.2943
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0363 0.0342
Echinococcus multilocularis aspartyl aminopeptidase 0.0213 0.3194 0.3189
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0363 0.0363
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0233 0.0233
Plasmodium vivax importin-beta 2, putative 0.006 0.0754 0.2033
Schistosoma mansoni hypothetical protein 0.0015 0.0035 0.0032
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0118 0.0118
Echinococcus granulosus intermediate filament protein 0.0027 0.0233 0.0225
Echinococcus multilocularis importin subunit beta 1 0.006 0.0754 0.0747
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0048
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0213 0.3194 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0363 0.0342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0612 0.0612
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0053 0.0053
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.016 0.0226
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Onchocerca volvulus 0.0035 0.0363 1
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0053
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0087 0.1182 0.3429
Schistosoma mansoni lamin 0.0027 0.0233 0.023
Brugia malayi Bromodomain containing protein 0.0044 0.0503 0.1078
Echinococcus granulosus lamin 0.0027 0.0233 0.0225
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0355 0.0347
Schistosoma mansoni hypothetical protein 0.0165 0.2422 0.242
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0131
Mycobacterium ulcerans beta-lactamase 0.0035 0.0363 0.063
Echinococcus multilocularis snurportin 1 0.0641 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Echinococcus multilocularis geminin 0.0165 0.2422 0.2416
Schistosoma mansoni ran 0.0023 0.016 0.0157
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0861 0.0854
Toxoplasma gondii hypothetical protein 0.0099 0.1382 1
Brugia malayi Ets-domain containing protein 0.0077 0.1032 0.2283
Mycobacterium ulcerans hypothetical protein 0.0035 0.0363 0.063
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.1032 0.1024
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0612 0.1326
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1303 0.1296
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0213 0.3194 0.3192
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0292 0.4446 0.4602
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0213 0.3194 0.6144
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0053 0.0053
Echinococcus granulosus geminin 0.0165 0.2422 0.2416
Entamoeba histolytica aminopeptidase, putative 0.0213 0.3194 1
Schistosoma mansoni cathepsin D (A01 family) 0.0021 0.0131 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0003
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0213 0.3194 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.016 0.0294
Schistosoma mansoni hypothetical protein 0.0641 1 1
Schistosoma mansoni zinc finger protein 0.0015 0.0035 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.01 0.139 0.4109
Loa Loa (eye worm) hypothetical protein 0.0069 0.0893 0.0893
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.016 0.0092
Brugia malayi hypothetical protein 0.0021 0.0131 0.0229
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.1032 0.1024
Toxoplasma gondii ABC1 family protein 0.0035 0.0363 0.1852
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0573 0.1442
Brugia malayi Importin beta-1 subunit 0.006 0.0754 0.1649
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0363 0.0355
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.01 0.139 0.4109
Loa Loa (eye worm) hypothetical protein 0.005 0.0597 0.0597
Echinococcus granulosus importin subunit beta 1 0.006 0.0754 0.0747
Echinococcus granulosus histone acetyltransferase KAT2B 0.028 0.4249 0.4244
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0048
Onchocerca volvulus 0.0027 0.0233 0.4375
Brugia malayi Muscleblind-like protein 0.0145 0.2111 0.4746
Trichomonas vaginalis conserved hypothetical protein 0.01 0.139 0.4109
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.029 0.4414 0.441
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.0754 0.075
Schistosoma mansoni hypothetical protein 0.0165 0.2422 0.242
Brugia malayi Cytochrome P450 family protein 0.0016 0.0053 0.0051
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0617 0.9618 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Schistosoma mansoni gabp alpha 0.0077 0.1032 0.1029
Onchocerca volvulus 0.0029 0.0261 0.5593
Brugia malayi Pepsin A precursor 0.0021 0.0131 0.0229
Loa Loa (eye worm) hypothetical protein 0.0027 0.0233 0.0233
Brugia malayi acetyltransferase, GNAT family protein 0.029 0.4414 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0021 0.0131 0.0128
Echinococcus granulosus GPCR family 2 0.0016 0.0056 0.0048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1303 0.1296
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0031 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1303 0.1301
Leishmania major GTP-binding protein, putative 0.0023 0.016 0.013
Echinococcus multilocularis lamin 0.0027 0.0233 0.0225
Loa Loa (eye worm) hypothetical protein 0.0145 0.2111 0.2111
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0641 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 nM Binding affinity to BACE assessed as displacement of [3H]BMS-599240 ChEMBL. 19375914
IC50 (binding) > 263 nM Inhibition of BACE1 in human HEK293 cells overexpressing APP with Swedish mutation assessed as inhibition of amyloid beta 40 production ChEMBL. 19375914

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.