Detailed information for compound 416693

Basic information

Technical information
  • TDR Targets ID: 416693
  • Name: [(1R,2S,3S,4S,4aR,11bS)-2,3-diacetyloxy-1,7-d ihydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1 ,3]dioxolo[4,5-j]phenanthridin-4-yl] acetate
  • MW: 451.381 | Formula: C20H21NO11
  • H donors: 3 H acceptors: 6 LogP: 0.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@H](O)[C@@H]2[C@H]([C@@H]1OC(=O)C)NC(=O)c1c2cc2OCOc2c1O
  • InChi: 1S/C20H21NO11/c1-6(22)30-17-13-11(14(25)18(31-7(2)23)19(17)32-8(3)24)9-4-10-16(29-5-28-10)15(26)12(9)20(27)21-13/h4,11,13-14,17-19,25-26H,5H2,1-3H3,(H,21,27)/t11-,13+,14+,17-,18-,19-/m0/s1
  • InChiKey: MBONISDXOXLMBP-ZKDNILIJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1R,2S,3S,4S,4aR,11bS)-2,3-diacetoxy-1,7-dihydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] acetate
  • acetic acid [(1R,2S,3S,4S,4aR,11bS)-2,3-diacetoxy-1,7-dihydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] ester
  • [(1R,2S,3S,4S,4aR,11bS)-2,3-diacetyloxy-1,7-dihydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] ethanoate
  • acetic acid [(1R,2S,3S,4S,4aR,11bS)-2,3-diacetoxy-1,7-dihydroxy-6-keto-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] ester

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
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0083 0.0644 0.0595
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0036 0.0139 0.0089
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0083 0.0644 1
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0884 0.9233 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0088 0.0698 0.0656
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0088 0.0698 0.0597
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0088 0.0698 0.0597
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0083 0.0644 0.0563
Brugia malayi AMP-binding enzyme family protein 0.013 0.1146 0.1108
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0088 0.0698 0.0707
Schistosoma mansoni FFA transport protein 0.0884 0.9233 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0083 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0779 0.0779
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.004 0.0185 0.0078
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0228 0.0147
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0075 0.0555 0.0549
Loa Loa (eye worm) fatty acid synthase 0.0049 0.0283 0.0283
Mycobacterium tuberculosis Conserved protein 0.0036 0.0139 0.0089
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0093 0.0051
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0041 0.0192 0.0148
Echinococcus granulosus long chain fatty acid transport protein 4 0.0884 0.9233 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0644 0.0644
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0955 1 1
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0872 0.9109 1
Mycobacterium ulcerans thioesterase 0.0042 0.02 0.0093
Onchocerca volvulus 0.017 0.1578 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0872 0.9109 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0083 0.0644 0.0555
Mycobacterium ulcerans Type I modular polyketide synthase 0.005 0.029 0.0184
Schistosoma mansoni hypothetical protein 0.0069 0.0488 0.0432
Brugia malayi beta-lactamase 0.0036 0.0139 0.0098
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Leishmania major 4-coumarate:coa ligase-like protein 0.0083 0.0644 0.0563
Loa Loa (eye worm) AMP-binding enzyme family protein 0.013 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0228 0.0147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0228 0.0147
Trichomonas vaginalis antibiotic synthetase, putative 0.0083 0.0644 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0139 0.005
Mycobacterium leprae Probable polyketide synthase Pks1 0.0053 0.0323 0.0239
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0139 0.005
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.052 0.051
Mycobacterium ulcerans lipase LipD 0.0036 0.0139 0.0031
Loa Loa (eye worm) hypothetical protein 0.0028 0.0054 0.0054
Leishmania major hypothetical protein, conserved 0.005 0.0289 0.0167
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0083 0.0644 0.0595
Mycobacterium ulcerans hypothetical protein 0.0083 0.0644 0.0542
Echinococcus granulosus muscleblind protein 0.0145 0.1303 0.1324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0228 0.0147
Brugia malayi AMP-binding enzyme family protein 0.0083 0.0644 0.0605
Mycobacterium ulcerans thioesterase TesA 0.0042 0.02 0.0093
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1303 0.1324
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0828 0.0789
Leishmania major fatty acid transporter protein-like protein 0.0872 0.9109 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0139 0.005
Mycobacterium ulcerans Type I modular polyketide synthase 0.005 0.029 0.0184
Echinococcus multilocularis muscleblind protein 0.0145 0.1303 0.1324
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0049 0.0274 0.0238
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.004 0.0185 0.0085
Mycobacterium ulcerans acyl-CoA synthetase 0.0088 0.0698 0.0597
Onchocerca volvulus 0.0083 0.0644 0.3508
Onchocerca volvulus 0.013 0.1146 0.6993
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0083 0.0644 0.0542
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Brugia malayi Muscleblind-like protein 0.0145 0.1303 0.1266
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0088 0.0698 0.0707
Loa Loa (eye worm) hypothetical protein 0.0145 0.1303 0.1303
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.005 0.029 0.0202
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0088 0.0698 0.0707
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0955 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0228 0.0228
Schistosoma mansoni acetyl-CoA synthetase 0.0083 0.0644 0.0603
Toxoplasma gondii type I fatty acid synthase, putative 0.0036 0.0135 0.0624
Mycobacterium ulcerans Type I modular polyketide synthase 0.005 0.029 0.0184
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0228 0.0147
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0884 0.9233 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0053 0.0323 0.0293
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0289 0.2975
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Loa Loa (eye worm) hypothetical protein 0.0032 0.0093 0.0093
Trichomonas vaginalis antibiotic synthetase, putative 0.0083 0.0644 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0083 0.0644 0.0542
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0053 0.0323 0.0218
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0053 0.0323 0.0218
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0228 0.0147
Toxoplasma gondii type I fatty acid synthase, putative 0.0065 0.0447 0.6371
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0088 0.0698 0.0597
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0488 0.0448
Loa Loa (eye worm) hypothetical protein 0.0083 0.0644 0.0644
Brugia malayi AMP-binding enzyme family protein 0.0083 0.0644 0.0605
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0828 0.0789
Mycobacterium leprae Polyketide synthase Pks13 0.0075 0.0555 0.0497
Mycobacterium leprae Probable lipase LipE 0.0036 0.0139 0.0034
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0075 0.0555 0.0549
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0139 0.0089
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0083 0.0644 0.0542
Brugia malayi AMP-binding enzyme family protein 0.0083 0.0644 0.0605
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0088 0.0698 0.0597
Onchocerca volvulus 0.0088 0.0698 0.3885
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0228 0.0147
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0139 0.0089
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0083 0.0644 0.0647
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0083 0.0644 0.0647
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0289 0.0165
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0139 0.0089
Loa Loa (eye worm) oxidoreductase 0.0083 0.0644 0.0644
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0053 0.0323 0.0239
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0289 0.0165
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0083 0.0644 0.0542
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0139 0.0034
Toxoplasma gondii propionate-CoA ligase 0.0083 0.0644 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.005 0.029 0.0202
Mycobacterium tuberculosis Conserved protein 0.0036 0.0139 0.0089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0828 0.0828
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0037 0.0148 0.0864
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0083 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.2219 0.2388
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.005 0.029 0.0184
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0083 0.0644 0.0647
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0083 0.0644 0.0542
Brugia malayi hypothetical protein 0.005 0.0289 0.0248
Toxoplasma gondii ABC1 family protein 0.0036 0.0139 0.0696
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0083 0.0644 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0884 0.9233 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0093 0.0051
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0083 0.0644 0.0595
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0139 0.0098
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0083 0.0644 0.0555
Loa Loa (eye worm) hypothetical protein 0.0145 0.1303 0.1303
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0139 0.0031
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0083 0.0644 0.0603
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0139 0.0139
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0083 0.0644 0.0603
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0083 0.0644 0.0647
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.005 0.029 0.0256
Mycobacterium ulcerans acyl-CoA synthetase 0.0083 0.0644 0.0542
Onchocerca volvulus Fatty acid synthase homolog 0.009 0.0721 0.4041
Loa Loa (eye worm) hypothetical protein 0.005 0.0289 0.0289
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.005 0.029 0.0256
Entamoeba histolytica acyl-CoA synthetase, putative 0.0088 0.0698 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0083 0.0644 0.0644
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.005 0.029 0.0249
Leishmania major 4-coumarate:coa ligase-like protein 0.0083 0.0644 0.0563
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0042 0.02 0.0103
Loa Loa (eye worm) hypothetical protein 0.0083 0.0644 0.0644
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0083 0.0644 0.0647
Loa Loa (eye worm) hypothetical protein 0.0069 0.0488 0.0488
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0228 0.0187
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0083 0.0644 0.0647
Echinococcus granulosus geminin 0.0333 0.3328 0.3539
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0053 0.0323 0.0293
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0139 0.0031
Mycobacterium tuberculosis Conserved protein 0.0036 0.0139 0.0089
Mycobacterium ulcerans polyketide synthase Pks13 0.0075 0.0555 0.0452
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0289 0.3464
Loa Loa (eye worm) hypothetical protein 0.01 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.0083 0.0644 0.0644
Mycobacterium tuberculosis Probable thioesterase TesA 0.0042 0.02 0.0157
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0083 0.0644 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0083 0.0644 0.0555
Brugia malayi hypothetical protein 0.0032 0.0099 0.0058
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0088 0.0698 0.0707
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0083 0.0644 0.0647
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.005 0.029 0.0256
Mycobacterium ulcerans polyketide synthase 0.0053 0.0323 0.0218
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0049 0.0274 0.0238
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0083 0.0644 0.0595
Brugia malayi AMP-binding enzyme family protein 0.0083 0.0644 0.0605
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0083 0.0644 0.0605
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0088 0.0698 0.0659
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.004 0.0185 0.0078
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0139 0.0089
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0053 0.0323 0.0293
Echinococcus multilocularis geminin 0.0333 0.3328 0.3539
Brugia malayi beta-lactamase family protein 0.0036 0.0139 0.0098
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0053 0.0323 0.0239
Leishmania major 4-coumarate:coa ligase-like protein 0.0083 0.0644 0.0563
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.013 0.1146 0.1201
Leishmania major acetyl-CoA synthetase, putative 0.0083 0.0644 0.0563
Schistosoma mansoni hypothetical protein 0.0333 0.3328 0.3539
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0093 0.0093
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0083 0.0644 0.0555
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0095 0.0771 0.0732
Onchocerca volvulus 0.0083 0.0644 0.3508
Leishmania major acetyl-CoA synthetase, putative 0.0083 0.0644 0.0563
Schistosoma mansoni hypothetical protein 0.0333 0.3328 0.3539
Brugia malayi AMP-binding enzyme family protein 0.0083 0.0644 0.0605
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0139 0.0089
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0083 0.0644 0.0542
Mycobacterium ulcerans hypothetical protein 0.0036 0.0139 0.0031
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0139 0.0089
Loa Loa (eye worm) beta-lactamase 0.0036 0.0139 0.0139
Brugia malayi beta-lactamase family protein 0.0036 0.0139 0.0098
Mycobacterium ulcerans polyketide synthase 0.005 0.029 0.0184
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0083 0.0644 0.0647
Plasmodium vivax acetyl-CoA synthetase, putative 0.0083 0.0644 1
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0289 0.2975
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0139 0.005
Mycobacterium ulcerans beta-lactamase 0.0036 0.0139 0.0031
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0139 0.0089
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0083 0.0644 0.0542

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 1 ug ml-1 Growth inhibition of human BXPC3 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) > 1 ug ml-1 Growth inhibition of human MCF7 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) > 1 ug ml-1 Growth inhibition of murine P388 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) > 1 ug ml-1 Growth inhibition of human BXPC3 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) > 1 ug ml-1 Growth inhibition of human MCF7 cells after 48 hrs ChEMBL. 17346078
ED50 (functional) > 1 ug ml-1 Growth inhibition of murine P388 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human SF268 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human NCI-H460 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human KM20L2 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human DU145 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human SF268 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human NCI-H460 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human KM20L2 cells after 48 hrs ChEMBL. 17346078
GI50 (functional) > 1 ug ml-1 Growth inhibition of human DU145 cells after 48 hrs ChEMBL. 17346078

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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