Detailed information for compound 1703735

Basic information

Technical information
  • TDR Targets ID: 1703735
  • Name: N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylamino ]-3-oxopropyl]-4-nitrobenzamide
  • MW: 410.446 | Formula: C20H18N4O4S
  • H donors: 1 H acceptors: 5 LogP: 3.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1scc(n1)C)c1ccccc1)CCNC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C20H18N4O4S/c1-14-13-29-20(22-14)23(16-5-3-2-4-6-16)18(25)11-12-21-19(26)15-7-9-17(10-8-15)24(27)28/h2-10,13H,11-12H2,1H3,(H,21,26)
  • InChiKey: SPELJMMHADSFPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[(4-methylthiazol-2-yl)-phenyl-amino]-3-oxo-propyl]-4-nitro-benzamide
  • N-[3-[(4-methyl-2-thiazolyl)-phenylamino]-3-oxopropyl]-4-nitrobenzamide
  • N-[3-keto-3-[(4-methylthiazol-2-yl)-phenyl-amino]propyl]-4-nitro-benzamide
  • N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenyl-amino]-3-oxo-propyl]-4-nitro-benzamide
  • ZINC03327493
  • MLS000334746
  • SMR000249504

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin 0.0027 0.0127 0.0473
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0138 0.0531
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0445 0.3818 0.3792
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0095 0.003
Brugia malayi Inositol-1 0.0037 0.0215 0.1362
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Loa Loa (eye worm) fatty acid synthase 0.003 0.0152 0.0584
Trypanosoma cruzi hypothetical protein, conserved 0.0179 0.1472 1
Mycobacterium tuberculosis Probable hydrolase 0.0179 0.1472 0.1438
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0445 0.3818 0.6004
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0095 0.0136
Plasmodium vivax hypothetical protein, conserved 0.0179 0.1472 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0215 0.0221
Echinococcus multilocularis musashi 0.0027 0.0127 0.0473
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0138 0.0097
Loa Loa (eye worm) hypothetical protein 0.0014 0.0017 0.0067
Brugia malayi beta-lactamase family protein 0.0179 0.1472 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0155 0.0136
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0215 0.0813
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0227 0.1892 0.2922
Treponema pallidum penicillin-binding protein (pbp-1) 0.0682 0.5907 0.0472
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0016 0.0046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0377 0.2479
Onchocerca volvulus 0.0179 0.1472 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0215 0.9972
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0111 0.0069
Echinococcus granulosus snurportin 1 0.0307 0.2596 1
Trichomonas vaginalis esterase, putative 0.0179 0.1472 0.2237
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0016 0.0046
Brugia malayi Protein kinase domain containing protein 0.0014 0.0016 0.000000050324
Echinococcus granulosus importin subunit beta 1 0.0029 0.0143 0.0537
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0215 0.0992
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0155 0.0115
Trypanosoma cruzi hypothetical protein, conserved 0.0179 0.1472 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0017 0.0065
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.0286 0.0247
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0143 0.0537
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0215 1
Mycobacterium ulcerans polyketide synthase 0.003 0.0155 0.0136
Loa Loa (eye worm) hypothetical protein 0.0029 0.0143 0.0552
Trypanosoma brucei beta lactamase 0.0063 0.045 0.2675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.1439
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0215 0.0222
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.0286 0.0247
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0178 0.1459 0.1424
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.068 0.5887 0.8817
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0215 0.0221
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.099
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0138 0.0834
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0063 0.045 0.0615
Loa Loa (eye worm) hypothetical protein 0.0027 0.0127 0.0489
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.0286 0.0354
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0728 0.6316 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.14
Mycobacterium ulcerans thioesterase 0.0025 0.0111 0.0069
Mycobacterium tuberculosis Conserved protein 0.0179 0.1472 0.1438
Chlamydia trachomatis transglycolase/transpeptidase 0.0682 0.5907 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0215 0.0813
Plasmodium falciparum importin beta, putative 0.0029 0.0143 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0076 0.0413
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0155 0.0115
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0393 0.2585
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0193 0.1597 0.232
Echinococcus multilocularis lamin 0.0027 0.0127 0.0473
Trypanosoma brucei hypothetical protein, conserved 0.0179 0.1472 1
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0768 0.6668 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0181 0.0184
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0215 0.0222
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0155 0.0144
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0215 0.0813
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0215 0.0813
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.099
Brugia malayi beta-lactamase 0.0179 0.1472 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0148
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.099
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0155 0.0136
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0016 0.000000028407
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0215 0.0221
Echinococcus multilocularis Ankyrin 0.0014 0.0017 0.005
Onchocerca volvulus 0.0179 0.1472 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0215 0.077
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0016 0.0046
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0012 0.0046
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0017 0.0004
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0172 0.017
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0179 0.1472 0.1438
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0076 0.0295
Schistosoma mansoni inositol monophosphatase 0.0037 0.0215 0.0769
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0127 0.0489
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0215 0.0811
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0215 0.077
Loa Loa (eye worm) hypothetical protein 0.0037 0.0215 0.0828
Mycobacterium tuberculosis Conserved protein 0.0179 0.1472 0.1438
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.099
Brugia malayi beta-lactamase family protein 0.0179 0.1472 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0179 0.1472 0.5645
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0215 0.1365
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Schistosoma mansoni hypothetical protein 0.0307 0.2596 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0172 0.0161
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0017 0.0004
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0132 0.1056 0.102
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0111 0.0071
Echinococcus multilocularis geminin 0.0169 0.1379 0.5306
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0227 0.1892 0.1859
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.0537 0.2056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.14
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.008 0.004
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0016 0.0063
Mycobacterium leprae Probable lipase LipE 0.0179 0.1472 0.2251
Onchocerca volvulus 0.0027 0.0127 0.076
Trichomonas vaginalis penicillin-binding protein, putative 0.0179 0.1472 0.2237
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0111 0.0073
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0215 0.0811
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.0537 0.2056
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0076 0.0278
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0179 0.1472 0.5672
Mycobacterium ulcerans esterase/lipase LipP 0.0179 0.1472 0.2131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.1439
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0172 0.0131
Echinococcus granulosus death domain containing protein 0.0014 0.0016 0.0046
Treponema pallidum penicillin-binding protein (pbp-2) 0.0728 0.6316 1
Onchocerca volvulus 0.0028 0.0138 0.0834
Echinococcus granulosus Ankyrin 0.0014 0.0017 0.005
Entamoeba histolytica hypothetical protein 0.0023 0.0095 0.137
Trichomonas vaginalis penicillin-binding protein, putative 0.0179 0.1472 0.2237
Onchocerca volvulus 0.0052 0.0352 0.2303
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0155 0.0144
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0076 0.0278
Loa Loa (eye worm) beta-lactamase 0.0179 0.1472 0.5672
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0181 0.014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0017
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0103 0.0058
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0016 0.0046
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0095 0.003
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0172 0.0131
Schistosoma mansoni intermediate filament proteins 0.0027 0.0127 0.0429
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0172 0.0131
Leishmania major importin beta-1 subunit, putative 0.0023 0.0095 0.0136
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0215 1
Mycobacterium ulcerans lipoprotein LpqF 0.0063 0.045 0.0582
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0155 0.0954
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0215 0.0813
Echinococcus granulosus lamin dm0 0.0027 0.0127 0.0473
Brugia malayi intermediate filament protein 0.0027 0.0127 0.076
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0179 0.1472 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.2596 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0095 0.003
Mycobacterium ulcerans hypothetical protein 0.0179 0.1472 0.2131
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0179 0.1472 0.1438
Brugia malayi RNA, U transporter 1 0.0082 0.0611 0.4082
Onchocerca volvulus 0.0027 0.0127 0.076
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0063 0.045 0.0411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.14
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0143 0.0479
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0215 0.0222
Loa Loa (eye worm) hypothetical protein 0.0014 0.0016 0.0063
Mycobacterium ulcerans lipase LipD 0.0179 0.1472 0.2131
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0155 0.0136
Echinococcus granulosus intermediate filament protein 0.0027 0.0127 0.0473
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0215 0.0992
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0172 0.0161
Trichomonas vaginalis D-aminoacylase, putative 0.0179 0.1472 0.2237
Trichomonas vaginalis conserved hypothetical protein 0.0728 0.6316 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0147 0.0107
Echinococcus multilocularis beta LACTamase domain containing family member 0.0179 0.1472 0.5665
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0172 0.017
Echinococcus multilocularis snurportin 1 0.0307 0.2596 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0445 0.3818 0.5683
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0283 0.2388 0.2357
Schistosoma mansoni importin beta-1 0.0029 0.0143 0.0493
Schistosoma mansoni hypothetical protein 0.0169 0.1379 0.5285
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0172 0.102
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.0286 0.0335
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0143 0.0824
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0179 0.1472 0.5645
Mycobacterium tuberculosis Conserved protein 0.0179 0.1472 0.1438
Brugia malayi Death domain containing protein 0.0014 0.0016 0.000000050324
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0147 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.1439
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0215 0.1316
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0178 0.1459 0.2229
Mycobacterium tuberculosis Probable lipase LipD 0.0179 0.1472 0.1438
Brugia malayi Importin beta-1 subunit 0.0029 0.0143 0.0873
Plasmodium vivax importin-beta 2, putative 0.0029 0.0143 0.0479
Echinococcus granulosus beta LACTamase domain containing family member 0.0179 0.1472 0.5665
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0155 0.0115
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0682 0.5907 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0062 0.0262
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0215 0.0992
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0215 0.0813
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0127 0.076
Leishmania major hypothetical protein, conserved 0.0179 0.1472 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0215 0.0769
Loa Loa (eye worm) hypothetical protein 0.0179 0.1472 0.5672
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0407 0.3481 0.5464
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0107 0.0066
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0076 0.0362
Brugia malayi Uncoordinated protein 44 0.0014 0.0016 0.000000050324
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0103 0.0058
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0179 0.1472 0.2131
Echinococcus multilocularis lamin dm0 0.0027 0.0127 0.0473
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0377 0.1454
Toxoplasma gondii ABC1 family protein 0.0179 0.1472 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0103 0.0061
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0132 0.1056 0.1501
Trichomonas vaginalis D-aminoacylase, putative 0.0179 0.1472 0.2237
Schistosoma mansoni hypothetical protein 0.0169 0.1379 0.5285
Trichomonas vaginalis D-aminoacylase, putative 0.0179 0.1472 0.2237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.1439
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0215 0.0226
Loa Loa (eye worm) inositol-1 0.0037 0.0215 0.0827
Loa Loa (eye worm) hypothetical protein 0.0051 0.0336 0.1293
Mycobacterium tuberculosis Probable esterase LipL 0.0179 0.1472 0.1438
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0079 0.0378
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0178 0.1459 0.211
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.0368 0.2416
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0407 0.3481 0.3454
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0179 0.1472 0.1438
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0127 0.0489
Echinococcus granulosus geminin 0.0169 0.1379 0.5306
Mycobacterium tuberculosis Probable lipase LipE 0.0179 0.1472 0.1438
Schistosoma mansoni ran 0.0021 0.0076 0.0233
Mycobacterium ulcerans beta-lactamase 0.0179 0.1472 0.2131
Schistosoma mansoni lamin 0.0027 0.0127 0.0429
Onchocerca volvulus 0.0179 0.1472 1
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0728 0.6316 0.9466
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0172 0.017
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0215 0.0992
Schistosoma mansoni ran 0.0021 0.0076 0.0233
Mycobacterium ulcerans polyketide synthase 0.0032 0.0172 0.0161
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0143 0.0479
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0407 0.3481 0.5173
Mycobacterium leprae conserved hypothetical protein 0.0179 0.1472 0.2251
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.0473
Schistosoma mansoni lamin 0.0027 0.0127 0.0429
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0155 0.0136

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 4.74 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 5.73 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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