Detailed information for compound 986740

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.42 | Formula: C17H22O3S
  • H donors: 1 H acceptors: 3 LogP: 5.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC[C@H]1SC(=O)c2c([C@@H]1C(=O)O)cccc2
  • InChi: 1S/C17H22O3S/c1-2-3-4-5-6-11-14-15(16(18)19)12-9-7-8-10-13(12)17(20)21-14/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)/t14-,15+/m1/s1
  • InChiKey: DUQSRNYCNYAEAE-CABCVRRESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0068 0.0031 0.0038
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0142 0.01 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0318 0.0265 0.0384
Brugia malayi Reprolysin 0.0163 0.012 0.012
Brugia malayi Glutamate receptor 2 precursor 0.0055 0.0018 0.0018
Echinococcus multilocularis snurportin 1 0.0314 0.0262 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0265 0.0485
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0142 0.01 0.5
Echinococcus multilocularis integrin alpha ps 0.0906 0.082 0.1107
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0318 0.0265 0.0265
Echinococcus granulosus integrin alpha ps 0.0972 0.0882 0.1192
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Schistosoma mansoni protein kinase 0.0134 0.0093 0.013
Loa Loa (eye worm) reprolysin 0.0279 0.0229 0.0224
Giardia lamblia Tenascin-like 0.0228 0.0181 0.0468
Mycobacterium tuberculosis Possible oxidoreductase 0.0068 0.0031 0.115
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Loa Loa (eye worm) hypothetical protein 0.1208 0.1104 0.11
Loa Loa (eye worm) hypothetical protein 0.2822 0.2625 0.2622
Schistosoma mansoni tyrosine kinase 0.0334 0.0281 0.0407
Loa Loa (eye worm) hypothetical protein 0.0108 0.0068 0.0064
Leishmania major subtilisin-like serine peptidase 0.0318 0.0265 0.2189
Brugia malayi EGF-like domain containing protein 0.0228 0.0181 0.0181
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0084 0.0045 0.0055
Schistosoma mansoni protein kinase 0.0134 0.0093 0.013
Loa Loa (eye worm) hypothetical protein 0.0163 0.012 0.0115
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.4429 0.4138 1
Schistosoma mansoni integrin beta subunit 0.6223 0.5829 0.8574
Brugia malayi SWIRM domain containing protein 0.0364 0.0309 0.0309
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0336 0.0283 0.0378
Giardia lamblia Tenascin precursor 0.0228 0.0181 0.0468
Brugia malayi Furin-like cysteine rich region family protein 0.0334 0.0281 0.0281
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.0262 0.0258
Toxoplasma gondii subtilisin SUB12 0.0318 0.0265 1
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0018 0.0021
Schistosoma mansoni integrin alpha-ps 0.0538 0.0473 0.069
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0057 0.002 0.002
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0109 0.0069 0.2595
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0279 0.0229 0.0305
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0084 0.0045 0.0055
Echinococcus granulosus c-Jun N-terminal kinases 0.0228 0.0181 0.024
Brugia malayi ADAM-TS Spacer 1 family protein 0.0163 0.012 0.012
Echinococcus multilocularis chromatin regulatory protein sir2 0.0108 0.0068 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Loa Loa (eye worm) hypothetical protein 0.0279 0.0229 0.0224
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0287 0.0236 0.0315
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus multilocularis glutamate receptor 2 0.0084 0.0045 0.0055
Echinococcus granulosus Tolloid protein 1 0.0048 0.0011 0.0009
Brugia malayi Subtilase family protein 0.0318 0.0265 0.0265
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0066 0.0029 0.1081
Toxoplasma gondii histone lysine-specific demethylase 0.0068 0.0031 0.0999
Schistosoma mansoni hypothetical protein 0.0057 0.002 0.0023
Schistosoma mansoni furin-1 (S08 family) 0.314 0.2924 0.4298
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0265 0.0485
Loa Loa (eye worm) hypothetical protein 0.1636 0.1508 0.1504
Schistosoma mansoni glutamate receptor AMPA 0.0055 0.0018 0.0021
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0279 0.0229 0.033
Giardia lamblia hypothetical protein 0.0228 0.0181 0.0468
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0048 0.0011 0.0007
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0318 0.0265 1
Echinococcus multilocularis adam 0.0593 0.0525 0.0706
Brugia malayi EGF-like domain containing protein 0.0228 0.0181 0.0181
Toxoplasma gondii subtilisin SUB4 0.0318 0.0265 1
Loa Loa (eye worm) integrin beta-2 1.0651 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0055 0.0018 0.0019
Brugia malayi EGF-like domain containing protein 0.0228 0.0181 0.0181
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0018 0.0021
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0068 0.0031 0.115
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Brugia malayi Integrin alpha pat-2 precursor 0.1816 0.1677 0.1677
Toxoplasma gondii type I fatty acid synthase, putative 0.0118 0.0077 0.2789
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0318 0.0265 0.0265
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0265 0.0485
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0111 0.007 0.2652
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0118 0.0077 0.289
Trichomonas vaginalis hypothetical protein 0.0228 0.0181 0.0278
Mycobacterium tuberculosis Probable thioesterase TesA 0.0097 0.0058 0.2177
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0318 0.0265 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0059 0.0022 0.0663
Loa Loa (eye worm) hypothetical protein 0.019 0.0145 0.0141
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0118 0.0077 0.2909
Brugia malayi angiogenesis inhibito 0.0163 0.012 0.012
Schistosoma mansoni ATP-binding cassette transporter 0.0058 0.0021 0.0024
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0318 0.0265 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0228 0.0181 0.0181
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0076 0.0037 0.1267
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0318 0.0265 1
Giardia lamblia Tenascin-37 0.0228 0.0181 0.0468
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0111 0.007 0.2652
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Onchocerca volvulus 0.0228 0.0181 0.5798
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0142 0.01 0.3774
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0088 0.0049 0.1844
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0113 0.0073 0.274
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0116 0.0075 0.0096
Loa Loa (eye worm) hypothetical protein 0.0116 0.0075 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0228 0.0181 0.026
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0083 0.0045 0.004
Onchocerca volvulus 0.0364 0.0309 1
Loa Loa (eye worm) endoprotease bli-4 0.7251 0.6797 0.6796
Giardia lamblia Furin precursor putative serine protease 0.1437 0.132 0.5181
Loa Loa (eye worm) hypothetical protein 0.0097 0.0057 0.0053
Loa Loa (eye worm) proprotein convertase 2 0.1755 0.162 0.1616
Loa Loa (eye worm) subtilase 0.0318 0.0265 0.0261
Loa Loa (eye worm) hypothetical protein 0.0108 0.0068 0.0064
Echinococcus granulosus epidermal growth factor receptor 0.0334 0.0281 0.0376
Brugia malayi Calcium binding EGF domain containing protein 0.0041 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0228 0.0181 0.0177
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0088 0.0049 0.1821
Schistosoma mansoni amine oxidase 0.0068 0.0031 0.0038
Brugia malayi EGF-like domain containing protein 0.0228 0.0181 0.0181
Onchocerca volvulus 0.0109 0.0069 0.2113
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0336 0.0283 0.041
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0055 0.0018 0.0019
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0215 0.0169 0.0169
Trichomonas vaginalis hypothetical protein 0.1437 0.132 0.3077
Loa Loa (eye worm) kelch domain-containing protein family protein 0.1644 0.1515 0.1511
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0111 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0059 0.0022 0.0018
Echinococcus granulosus disintegrin and metalloproteinase 0.0116 0.0075 0.0096
Loa Loa (eye worm) hypothetical protein 0.0057 0.002 0.0015
Brugia malayi Trypsin family protein 0.0108 0.0068 0.0068
Echinococcus granulosus nmda type glutamate receptor 0.0198 0.0152 0.0201
Echinococcus granulosus Furin 1 0.1755 0.162 0.2193
Brugia malayi protein kinase C II. 0.0083 0.0045 0.0045
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0228 0.0181 0.024
Echinococcus granulosus integrin beta 2 0.7859 0.737 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0111 0.007 0.2632
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0068 0.0031 0.115
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0057 0.002 0.0023
Mycobacterium ulcerans polyketide synthase 0.0111 0.007 0.2652
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0111 0.007 0.2632
Loa Loa (eye worm) hypothetical protein 0.1278 0.117 0.1166
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Loa Loa (eye worm) hypothetical protein 0.0336 0.0283 0.0278
Mycobacterium leprae Possible secreted protease 0.0318 0.0265 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0336 0.0283 0.0378
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus granulosus fibrillin 2 0.0228 0.0181 0.024
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1208 0.1104 0.1104
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0084 0.0045 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.001 0.0008
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0084 0.0045 0.0055
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.1437 0.132 0.3077
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0047 0.0011 0.0401
Echinococcus multilocularis 0.5813 0.5443 0.7383
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0057 0.002 0.0021
Schistosoma mansoni apoptosis regulator bax 0.0057 0.002 0.0023
Echinococcus multilocularis protein jagged 2 0.0228 0.0181 0.024
Echinococcus multilocularis epidermal growth factor receptor 0.0334 0.0281 0.0376
Mycobacterium ulcerans dehydrogenase 0.0068 0.0031 0.115
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0084 0.0045 0.0055
Schistosoma mansoni hypothetical protein 0.0055 0.0018 0.0021
Echinococcus granulosus glutamate receptor subunit protein glur 0.0055 0.0018 0.0019
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1208 0.1104 1
Mycobacterium ulcerans polyketide synthase 0.0118 0.0077 0.2909
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.091 0.0823 0.0819
Mycobacterium ulcerans Type I modular polyketide synthase 0.0111 0.007 0.2652
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0228 0.0181 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.001 0.0009
Echinococcus multilocularis fibrillin 1 0.027 0.0221 0.0294
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0712 0.0637 0.0859
Echinococcus multilocularis integrin beta 2 0.7859 0.737 1
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Mycobacterium ulcerans monoamine oxidase 0.0068 0.0031 0.115
Brugia malayi RNA, U transporter 1 0.0084 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.7251 0.6797 0.6796
Echinococcus multilocularis serine:threonine protein kinase N2 0.0076 0.0038 0.0045
Loa Loa (eye worm) hypothetical protein 0.0048 0.0011 0.0007
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0048 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0336 0.0283 0.0278
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0168 0.0125 0.4699
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.0068 0.0351
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.001 0.0008
Brugia malayi proprotein convertase 2 0.4577 0.4278 0.4278
Mycobacterium leprae Polyketide synthase Pks13 0.0168 0.0125 0.4685
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0109 0.0069 0.0064
Toxoplasma gondii subtilisin SUB10 0.0318 0.0265 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0227 0.018 0.0258
Echinococcus multilocularis 0.0068 0.0031 0.0035
Schistosoma mansoni hypothetical protein 0.0314 0.0262 0.038
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0318 0.0265 0.0354
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.4429 0.4138 0.5612
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus granulosus fibrillin 1 0.023 0.0183 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Loa Loa (eye worm) hypothetical protein 0.1381 0.1268 0.1264
Brugia malayi Disintegrin family protein 0.0116 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0068 0.0031 0.0026
Toxoplasma gondii subtilisin SUB8 0.0318 0.0265 1
Echinococcus granulosus neuroendocrine convertase 2 0.4577 0.4278 0.5802
Mycobacterium ulcerans thioesterase TesA 0.0097 0.0058 0.2177
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0118 0.0077 0.2909
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0318 0.0265 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1278 0.117 0.117
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0084 0.0045 0.0055
Leishmania major silent information regulator 2, putative 0.0108 0.0068 0.0351
Echinococcus granulosus lysine specific histone demethylase 1A 0.0068 0.0031 0.0035
Onchocerca volvulus 0.0082 0.0044 0.1283
Loa Loa (eye worm) hypothetical protein 0.0538 0.0473 0.0469
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.4429 0.4138 1
Toxoplasma gondii subtilisin SUB6 0.0318 0.0265 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0118 0.0077 0.289
Giardia lamblia Tenascin-X 0.0228 0.0181 0.0468
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0111 0.007 0.2652
Mycobacterium ulcerans Type I modular polyketide synthase 0.0111 0.007 0.2652
Echinococcus multilocularis Furin 1 0.1755 0.162 0.2193
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0142 0.01 0.3774
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0115 0.0075 0.0104
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Schistosoma mansoni integrin alpha-ps 0.0906 0.082 0.1201
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0055 0.0018 0.0019
Echinococcus multilocularis membrane bound transcription factor site 1 0.0318 0.0265 0.0354
Toxoplasma gondii subtilisin SUB5 0.0318 0.0265 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.1208 0.1104 1
Mycobacterium ulcerans oxidoreductase 0.0068 0.0031 0.115
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Trypanosoma brucei subtilisin peptidase 0.0318 0.0265 0.1905
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0116 0.0075 0.0096
Schistosoma mansoni hypothetical protein 0.1437 0.132 0.1937
Trypanosoma cruzi subtilisin peptidase 0.0318 0.0265 0.2189
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.1755 0.162 0.2378
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0118 0.0077 0.2909
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0097 0.0058 0.2155
Loa Loa (eye worm) glutamate receptor 1 0.0055 0.0018 0.0014
Echinococcus multilocularis nmda type glutamate receptor 0.0198 0.0152 0.0201
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0118 0.0077 0.2909
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0318 0.0265 1
Echinococcus granulosus adam 17 protease 0.0116 0.0075 0.0096
Toxoplasma gondii hypothetical protein 0.0228 0.0181 0.6774
Giardia lamblia Neurogenic locus notch-like protein 0.0228 0.0181 0.0468
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0084 0.0045 0.1701
Echinococcus multilocularis integrin alpha ps 0.0972 0.0882 0.1192
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0068 0.0031 0.0999
Loa Loa (eye worm) hypothetical protein 0.0228 0.0181 0.0177
Plasmodium vivax subtilisin-like serine protease, putative 0.0318 0.0265 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0029 0.0024
Loa Loa (eye worm) hypothetical protein 0.0364 0.0309 0.0305
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0318 0.0265 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.001 0.0008
Brugia malayi celfurPC protein 0.5813 0.5443 0.5443
Echinococcus granulosus protein kinase c epsilon type 0.0083 0.0045 0.0055
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0318 0.0265 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0071 0.0033 0.125
Plasmodium falciparum subtilisin-like protease 3 0.0318 0.0265 1
Schistosoma mansoni glutamate receptor kainate 0.0055 0.0018 0.0021
Onchocerca volvulus Fatty acid synthase homolog 0.021 0.0164 0.5242
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.7251 0.6797 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0023 0.0018
Brugia malayi transcriptional regulator, Sir2 family protein 0.0108 0.0068 0.0068
Echinococcus granulosus furin 0.7251 0.6797 0.9222
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0071 0.0033 0.125
Onchocerca volvulus 0.0203 0.0157 0.5018
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.001 0.0006
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Mycobacterium ulcerans Type I modular polyketide synthase 0.0111 0.007 0.2652
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0318 0.0265 0.2189
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0041 0.0004 0.0004
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0084 0.0045 0.0055
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus multilocularis protoporphyrinogen oxidase 0.0068 0.0031 0.0035
Echinococcus multilocularis integrin alpha 3 0.1344 0.1232 0.1667
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.4429 0.4138 0.5612
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.0068 0.0351
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0325 0.0272 0.2251
Loa Loa (eye worm) hypothetical protein 0.0068 0.0031 0.0026
Echinococcus granulosus integrin alpha 3 0.1344 0.1232 0.1667
Schistosoma mansoni hypothetical protein 0.0057 0.002 0.0023
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0134 0.0093 0.012
Toxoplasma gondii subtilisin SUB2 0.0318 0.0265 1
Toxoplasma gondii subtilisin SUB1 0.0318 0.0265 1
Schistosoma mansoni integrin alpha 0.1816 0.1677 0.2462
Echinococcus multilocularis fibrillin 2 0.0228 0.0181 0.024
Schistosoma mansoni site-1 peptidase (S08 family) 0.0318 0.0265 0.0384
Giardia lamblia High cysteine membrane protein Group 2 0.2674 0.2485 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0111 0.007 0.2652
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0318 0.0265 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.0181 0.0177
Leishmania major C-8 sterol isomerase-like protein 0.1208 0.1104 1
Loa Loa (eye worm) angiogenesis inhibito 0.0077 0.0039 0.0034
Mycobacterium ulcerans thioesterase 0.0097 0.0058 0.2177
Loa Loa (eye worm) apoptosis regulator protein 0.0057 0.002 0.0015
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0118 0.0077 0.289
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0068 0.0031 0.1125
Loa Loa (eye worm) hypothetical protein 0.0077 0.0039 0.0034
Toxoplasma gondii subtilisin SUB9 0.0318 0.0265 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0287 0.0236 0.0315
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.0068 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0108 0.0068 0.0087
Brugia malayi hypothetical protein 0.1636 0.1508 0.1508
Loa Loa (eye worm) metalloprotease 0.0077 0.0039 0.0034
Plasmodium vivax subtilisin-like protease 2, putative 0.0318 0.0265 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0318 0.0265 0.0384
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0018 0.0019
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0168 0.0125 0.4699
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.001 0.001
Echinococcus granulosus serine:threonine protein kinase N2 0.0068 0.003 0.0035
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0055 0.0018 0.0019
Schistosoma mansoni dihydroceramide desaturase 0.0116 0.0075 0.0104
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0118 0.0077 0.0073
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus granulosus snurportin 1 0.0314 0.0262 0.035
Schistosoma mansoni serine/threonine protein kinase 0.0083 0.0045 0.0059
Loa Loa (eye worm) hypothetical protein 0.0501 0.0438 0.0434
Toxoplasma gondii type I fatty acid synthase, putative 0.0083 0.0044 0.1532
Brugia malayi endoprotease bli-4 precursor 0.7251 0.6797 0.6797
Giardia lamblia Neurogenic locus Notch protein precursor 0.0228 0.0181 0.0468
Chlamydia trachomatis glutamine binding protein 0.0142 0.01 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.001 0.0009
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0228 0.0181 0.0278
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0084 0.0045 0.0055
Echinococcus granulosus chromatin regulatory protein sir2 0.0108 0.0068 0.0087
Echinococcus multilocularis neuroendocrine convertase 2 0.4577 0.4278 0.5802
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0318 0.0265 0.0354
Schistosoma mansoni amine oxidase 0.0068 0.0031 0.0038
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0057 0.002 0.0021
Loa Loa (eye worm) glutamate receptor 2 0.0055 0.0018 0.0014
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0089 0.005 0.1898
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0055 0.0018 0.0019
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0325 0.0272 0.2251
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1247 0.1141 0.1673
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.001 0.0009
Plasmodium falciparum subtilisin-like protease 1 0.0318 0.0265 1
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Echinococcus multilocularis protein kinase c epsilon type 0.0083 0.0045 0.0055
Toxoplasma gondii subtilisin SUB7 0.0318 0.0265 1
Brugia malayi Fibulin-1 precursor 0.0041 0.0004 0.0004
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0318 0.0265 0.0384
Echinococcus multilocularis Tolloid protein 1 0.0048 0.0011 0.0009
Onchocerca volvulus 0.0092 0.0053 0.1579
Loa Loa (eye worm) TK/EGFR protein kinase 0.0334 0.0281 0.0277
Giardia lamblia High cysteine protein 0.0228 0.0181 0.0468
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Loa Loa (eye worm) acyl carrier protein 0.0054 0.0017 0.0012
Mycobacterium tuberculosis Conserved hypothetical protein 0.0068 0.0031 0.115
Brugia malayi AMP-binding enzyme family protein 0.0109 0.0069 0.0069
Plasmodium falciparum subtilisin-like protease 2 0.0318 0.0265 1
Schistosoma mansoni hypothetical protein 0.0057 0.002 0.0023
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Toxoplasma gondii subtilisin SUB11 0.0318 0.0265 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.1437 0.132 0.3077
Brugia malayi neuroendocrine convertase 1 precursor 0.4577 0.4278 0.4278
Brugia malayi metalloprotease 0.0077 0.0039 0.0039
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1755 0.162 0.3812
Schistosoma mansoni glutamate receptor AMPA 0.0055 0.0018 0.0021
Loa Loa (eye worm) fatty acid synthase 0.0115 0.0075 0.007
Echinococcus granulosus membrane bound transcription factor site 1 0.0318 0.0265 0.0354
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0113 0.0073 0.274
Loa Loa (eye worm) hypothetical protein 0.0617 0.0548 0.0543
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0071 0.0033 0.1226
Echinococcus granulosus adam 0.0593 0.0525 0.0706
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0068 0.0094
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0198 0.0152 0.0201
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Brugia malayi Kelch motif family protein 0.1644 0.1515 0.1515
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0325 0.0272 0.197
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0712 0.0637 0.0859
Echinococcus granulosus integrin alpha ps 0.0434 0.0375 0.0504
Loa Loa (eye worm) integrin alpha pat-2 0.2593 0.2409 0.2406
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Loa Loa (eye worm) transcriptional regulator 0.0108 0.0068 0.0064
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0108 0.0068 0.0087
Loa Loa (eye worm) hypothetical protein 0.0163 0.012 0.0115
Onchocerca volvulus 0.0108 0.0068 0.2086
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0365 0.031 0.0449
Schistosoma mansoni hypothetical protein 0.0434 0.0375 0.0546
Trichomonas vaginalis conserved hypothetical protein 0.1437 0.132 0.3077
Brugia malayi hypothetical protein 0.0068 0.0031 0.0031
Giardia lamblia High cysteine protein 0.0228 0.0181 0.0468
Brugia malayi Glutamate receptor 1 precursor 0.0055 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0086 0.0047 0.0043
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0055 0.0018 0.0019
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0068 0.0094
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.1437 0.132 0.3077
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0118 0.0077 0.2909
Schistosoma mansoni glutamate receptor NMDA 0.0084 0.0045 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0265 0.0485
Schistosoma mansoni protein kinase 0.0134 0.0093 0.013
Brugia malayi hypothetical protein 0.0365 0.031 0.031
Onchocerca volvulus 0.0318 0.0265 0.8559
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0068 0.0094
Schistosoma mansoni glutamate receptor NMDA 0.0287 0.0236 0.0341
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0279 0.0229 0.033
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0068 0.0094
Brugia malayi ADAMTS-like protease 0.0163 0.012 0.012
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0068 0.0031 0.115
Mycobacterium ulcerans polyketide synthase Pks13 0.0168 0.0125 0.4699
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.001 0.0008
Brugia malayi amine oxidase, flavin-containing family protein 0.0097 0.0057 0.0057
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0118 0.0077 0.0077
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0088 0.0049 0.1844
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0318 0.0265 0.0485
Echinococcus multilocularis NMDA receptor 0.0055 0.0018 0.0019
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0134 0.0093 0.012
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0077 0.0039 0.0051
Mycobacterium ulcerans fatty acid synthase Fas 0.0037 0.0001 0.0028
Echinococcus multilocularis integrin alpha ps 0.0434 0.0375 0.0504
Loa Loa (eye worm) hypothetical protein 0.0318 0.0265 0.0261
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0279 0.0229 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0265 0.0485
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0142 0.01 0.5
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0037 0.0001 0.0028
Echinococcus granulosus glutamate receptor 2 0.0084 0.0045 0.0055
Loa Loa (eye worm) hypothetical protein 0.0228 0.0181 0.0177
Echinococcus multilocularis disintegrin and metalloproteinase 0.0116 0.0075 0.0096
Plasmodium vivax subtilisin-like protease 1 0.0318 0.0265 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26.86 uM Inhibition of Sprague-Dawley rat liver fatty acid synthase ChEMBL. 19097781
Inhibition (binding) = 11.59 % Inhibition of Sprague-Dawley rat liver fatty acid synthase at 60 umol ChEMBL. 19097781

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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