Detailed information for compound 1627808

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.714 | Formula: C15H11ClN2O
  • H donors: 2 H acceptors: 1 LogP: 3.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[nH]c(c(c2=O)c1ccccc1)N
  • InChi: 1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(17)13(14(11)19)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
  • InChiKey: IHEKGQGTHJVJQY-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0889
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Brugia malayi TAR-binding protein 0.0073 0.0576 0.0893
Loa Loa (eye worm) hypothetical protein 0.005 0.0318 0.0557
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0081 0.0662 0.116
Echinococcus multilocularis dnaJ subfamily B 0.0474 0.4934 0.4934
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0077 0.0439
Onchocerca volvulus 0.0311 0.3156 0.509
Echinococcus multilocularis microtubule associated protein 2 0.0662 0.6976 0.6976
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0033 0.0133 0.0766
Mycobacterium leprae Probable polyketide synthase Pks1 0.0344 0.3519 0.6932
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0889
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0041 0.0221 0.0437
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0576 0.0826
Loa Loa (eye worm) hypothetical protein 0.0057 0.0401 0.0703
Loa Loa (eye worm) RNA binding protein 0.0073 0.0576 0.101
Mycobacterium ulcerans Type I modular polyketide synthase 0.0324 0.33 0.6545
Loa Loa (eye worm) acyl carrier protein 0.0149 0.1397 0.2448
Schistosoma mansoni hypothetical protein 0.0067 0.0507 0.0727
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0033 0.0133 0.0263
Toxoplasma gondii acyl carrier protein ACP 0.0033 0.0133 0.0378
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.005 0.0318 0.0486
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0324 0.33 0.6544
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0131 0.1202 0.2383
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0261 0.2612 0.518
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.1019 1
Plasmodium falciparum carbonic anhydrase 0.0067 0.0507 0.7663
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0576 0.101
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0311 0.3156 0.5531
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0015 0.0085
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0221 0.0343
Echinococcus granulosus AMP dependent ligase 0.0034 0.0146 0.0209
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0184 0.178 0.3529
Echinococcus multilocularis expressed conserved protein 0.0107 0.0944 0.0944
Mycobacterium tuberculosis Probable lipase LipE 0.0068 0.0513 0.1016
Loa Loa (eye worm) hypothetical protein 0.0028 0.0077 0.0134
Loa Loa (eye worm) beta-lactamase 0.0068 0.0513 0.0899
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0081 0.0662 0.0949
Echinococcus multilocularis tumor protein p63 0.0392 0.4037 0.4037
Toxoplasma gondii hypothetical protein 0.0067 0.0507 0.1436
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0221 0.0439
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0214 0.2107 0.4179
Echinococcus granulosus Protein patched homolog 1 0.0049 0.031 0.0445
Loa Loa (eye worm) hypothetical protein 0.0049 0.031 0.0544
Echinococcus granulosus tar DNA binding protein 0.0073 0.0576 0.0826
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0077 0.0152
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0507 0.0786
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0015 0.0223
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0041 0.0221 0.0439
Mycobacterium ulcerans esterase/lipase LipP 0.0068 0.0513 0.1018
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0344 0.3519 0.6979
Onchocerca volvulus 0.0068 0.0513 0.0721
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0344 0.3519 0.6932
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0068 0.0513 0.1016
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.031 0.0445
Echinococcus granulosus dnaJ subfamily B 0.0474 0.4934 0.7072
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.1019 0.146
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.01 0.0861 0.1705
Echinococcus granulosus carbonic anhydrase 0.0067 0.0507 0.0727
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0261 0.2612 0.518
Schistosoma mansoni hypothetical protein 0.004 0.0207 0.0297
Brugia malayi beta-lactamase family protein 0.0068 0.0513 0.0795
Onchocerca volvulus 0.0572 0.5996 0.9783
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0344 0.3519 0.6932
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0041 0.0221 0.0437
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0081 0.0662 0.1874
Schistosoma mansoni cpg binding protein 0.0035 0.016 0.023
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.1742 0.2699
Echinococcus multilocularis beta LACTamase domain containing family member 0.0068 0.0513 0.0513
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0081 0.0662 0.3798
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0507 0.0507
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0001 0.0002
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0507 0.0786
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0041 0.0221 0.0437
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0507 0.0727
Mycobacterium tuberculosis Conserved protein 0.0068 0.0513 0.1016
Schistosoma mansoni hypothetical protein 0.0047 0.0291 0.0417
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0513 0.6048
Echinococcus granulosus Niemann Pick C1 protein 0.0163 0.1551 0.2224
Leishmania major acyl carrier protein, putative 0.0033 0.0133 0.0766
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.1019 0.1019
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0513 0.2945
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0513 0.6048
Echinococcus granulosus NADH dehydrogenase 0.0033 0.0133 0.0191
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.1742 0.2699
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0081 0.0662 0.3798
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0077 0.0119
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0041 0.0221 0.0439
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.027 0.2713 0.5309
Trypanosoma brucei hypothetical protein, conserved 0.0068 0.0513 0.2945
Leishmania major hypothetical protein, conserved 0.0098 0.0839 0.4814
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.005 0.0318 0.0629
Echinococcus granulosus carbonic anhydrase 0.0067 0.0507 0.0727
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0077 0.0119
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0324 0.33 0.6545
Schistosoma mansoni hypothetical protein 0.0047 0.0291 0.0417
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0077 0.0152
Onchocerca volvulus 0.0068 0.0513 0.0721
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0068 0.0513 0.1018
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0081 0.0662 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0507 0.0786
Loa Loa (eye worm) hypothetical protein 0.006 0.043 0.0754
Mycobacterium ulcerans polyketide synthase Pks13 0.0484 0.5042 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0484 0.5042 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0081 0.0662 0.1312
Mycobacterium ulcerans Type I modular polyketide synthase 0.0324 0.33 0.6545
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0033 0.0133 0.0234
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0314 0.3192 0.633
Mycobacterium tuberculosis Hypothetical protein 0.0098 0.0839 0.1662
Mycobacterium ulcerans lipase LipD 0.0068 0.0513 0.1018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0033 0.0133 0.0133
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0507 0.0727
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0165 0.157 0.4446
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0015 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0576 0.0826
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0015 0.0027
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0146 0.0139
Echinococcus multilocularis Niemann Pick C1 protein 0.0163 0.1551 0.1551
Trichomonas vaginalis penicillin-binding protein, putative 0.0068 0.0513 0.6048
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0507 0.0727
Echinococcus multilocularis NADH dehydrogenase 0.0033 0.0133 0.0133
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0507 0.0786
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0513 0.6048
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0191
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0081 0.0662 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0081 0.0662 1
Schistosoma mansoni cpg binding protein 0.0033 0.014 0.02
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0614 0.6454 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0484 0.5042 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.031 0.0544
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0015 0.0029
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0464 0.1313
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0077 0.015
Treponema pallidum acyl carrier protein 0.0033 0.0133 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.1742 1
Mycobacterium tuberculosis Conserved protein 0.0098 0.0839 0.1662
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0001 0.0015
Echinococcus granulosus cpg binding protein 0.0035 0.016 0.023
Mycobacterium tuberculosis Probable esterase LipL 0.0068 0.0513 0.1016
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0077 0.0152
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0406 0.0712
Mycobacterium tuberculosis Probable lipase LipD 0.0068 0.0513 0.1016
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0041 0.0221 0.0439
Loa Loa (eye worm) hypothetical protein 0.0182 0.1751 0.3068
Echinococcus multilocularis cpg binding protein 0.0035 0.016 0.016
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0324 0.33 0.6492
Mycobacterium tuberculosis Probable hydrolase 0.0068 0.0513 0.1016
Mycobacterium ulcerans thioesterase TesA 0.027 0.2713 0.538
Giardia lamblia Methyltransferase like 2 0.0098 0.0839 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0068 0.0513 0.1016
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.1742 0.1742
Schistosoma mansoni hypothetical protein 0.0474 0.4934 0.7072
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1742 1
Brugia malayi Methyltransferase-like protein 4 0.0098 0.0839 0.13
Schistosoma mansoni hypothetical protein 0.0047 0.0291 0.0417
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.031 0.031
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.005 0.0318 0.0629
Mycobacterium ulcerans polyketide synthase Pks9 0.0214 0.2107 0.4179
Mycobacterium ulcerans polyketide synthase 0.0324 0.33 0.6545
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.1038 0.1488
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0324 0.33 0.6492
Schistosoma mansoni hypothetical protein 0.0047 0.0291 0.0417
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0507 0.0507
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0041 0.0221 0.0291
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0081 0.0662 0.0949
Brugia malayi AMP-binding enzyme family protein 0.0311 0.3156 0.4891
Schistosoma mansoni acyl carrier protein 0.0033 0.0133 0.0191
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0513 0.2945
Loa Loa (eye worm) hypothetical protein 0.0058 0.0406 0.0712
Echinococcus granulosus carbonic anhydrase 0.0067 0.0507 0.0727
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0033 0.0133 0.0766
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0314 0.3192 0.633
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0033 0.0133 0.0263
Echinococcus granulosus beta LACTamase domain containing family member 0.0068 0.0513 0.0735
Mycobacterium ulcerans acyl carrier protein 0.0033 0.0133 0.0265
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0513 0.0735
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.014 0.0245
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0001 0.0015
Loa Loa (eye worm) hypothetical protein 0.0068 0.0513 0.0899
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1742 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0406 0.0629
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0265 0.2658 0.5271
Loa Loa (eye worm) hypothetical protein 0.0028 0.0077 0.0134
Toxoplasma gondii exonuclease III APE 0.0022 0.0015 0.0042
Onchocerca volvulus 0.0041 0.0221 0.0239
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.1742 0.3053
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0344 0.3519 0.6978
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0015 0.0085
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0344 0.3519 0.6978
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0507 0.0889
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0015 0.0026
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0576 0.0893
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0077 0.0152
Mycobacterium ulcerans acyl carrier protein 0.0033 0.0133 0.0265
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0077 0.0439
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0507 0.0507
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0041 0.0221 0.0437
Plasmodium vivax hypothetical protein, conserved 0.0068 0.0513 0.7753
Mycobacterium leprae Polyketide synthase Pks13 0.0484 0.5042 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0081 0.0662 0.1025
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0081 0.0662 0.3798
Schistosoma mansoni ap endonuclease 0.0022 0.0015 0.0021
Toxoplasma gondii type I fatty acid synthase, putative 0.0345 0.3531 1
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0102 0.0884 0.1626
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0033 0.0133 0.2016
Schistosoma mansoni ap endonuclease 0.0022 0.0015 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0576 0.0826
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0207 0.0321
Mycobacterium ulcerans hypothetical protein 0.0068 0.0513 0.1018
Toxoplasma gondii type I fatty acid synthase 0.005 0.0318 0.09
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0046 0.0283 0.4269
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0068 0.0513 0.0899
Trichomonas vaginalis D-aminoacylase, putative 0.0068 0.0513 0.6048
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0146 0.0287
Toxoplasma gondii ABC1 family protein 0.0068 0.0513 0.1453
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0001 0.0015
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0311 0.3156 0.6259
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0077 0.0439
Mycobacterium tuberculosis Conserved protein 0.0068 0.0513 0.1016
Mycobacterium leprae Probable lipase LipE 0.0068 0.0513 0.0879
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0406 0.0629
Brugia malayi CHE-14 protein 0.0049 0.031 0.0481
Mycobacterium ulcerans fatty acid synthase Fas 0.0102 0.0884 0.1753
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0324 0.33 0.6544
Brugia malayi RNA binding protein 0.0073 0.0576 0.0893
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0401 0.0575
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0068 0.0513 0.0795
Mycobacterium ulcerans polyketide synthase MbtD 0.01 0.0861 0.1707
Echinococcus granulosus acyl carrier protein mitochondrial 0.0033 0.0133 0.0191
Brugia malayi beta-lactamase 0.0068 0.0513 0.0795
Mycobacterium leprae conserved hypothetical protein 0.0033 0.0133 0.0115
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0261 0.2612 0.5106
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0033 0.0133 0.0207
Mycobacterium ulcerans polyketide synthase 0.0344 0.3519 0.6979
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0111 0.0988 0.1959
Plasmodium vivax acyl carrier protein, putative 0.0033 0.0133 0.2016
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1742 0.2497
Brugia malayi CXXC zinc finger family protein 0.0033 0.014 0.0216
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0283 0.4269
Trichomonas vaginalis esterase, putative 0.0068 0.0513 0.6048
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0324 0.33 0.5113
Chlamydia trachomatis acyl carrier protein 0.0033 0.0133 0.2016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0015 0.0015
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.005 0.0318 0.0629
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0033 0.0133 0.0094
Mycobacterium tuberculosis Conserved protein 0.0068 0.0513 0.1016
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0077 0.0152
Loa Loa (eye worm) hypothetical protein 0.0114 0.1019 0.1785
Echinococcus granulosus microtubule associated protein 2 0.0662 0.6976 1
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0034 0.0146 0.0289
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0015 0.0223
Schistosoma mansoni cpg binding protein 0.0035 0.016 0.023
Mycobacterium ulcerans Type I modular polyketide synthase 0.0324 0.33 0.6545
Echinococcus multilocularis protein dispatched 1 0.0056 0.0386 0.0386
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0081 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0889
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0432 0.4476 0.8877
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0015 0.0223
Loa Loa (eye worm) acyl carrier protein 0.0033 0.0133 0.0234
Echinococcus multilocularis protein patched 0.0049 0.031 0.031
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0324 0.33 0.6544
Mycobacterium tuberculosis Conserved hypothetical protein 0.0033 0.0133 0.0263
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0077 0.0615
Mycobacterium ulcerans hypothetical protein 0.0028 0.0077 0.0152
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0081 0.0662 0.1312
Schistosoma mansoni microtubule-associated protein tau 0.0662 0.6976 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0102 0.0884 0.1752
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0015 0.0085
Toxoplasma gondii type I fatty acid synthase, putative 0.0231 0.2285 0.6471
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0214 0.2107 0.4089
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0507 0.0786
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0015 0.0021
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0873 0.1352
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0081 0.0662 0.3798
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0068 0.0513 0.0735
Loa Loa (eye worm) fatty acid synthase 0.032 0.3253 0.57
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0839 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0077 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0576 0.0826
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0546 0.0782
Echinococcus granulosus carbonic anhydrase II 0.0181 0.1742 0.2497
Echinococcus multilocularis AMP dependent ligase 0.0034 0.0146 0.0146
Mycobacterium ulcerans thioesterase 0.027 0.2713 0.538
Leishmania major hypothetical protein, conserved 0.0068 0.0513 0.2945
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.1019 0.1579
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0576 0.0826
Brugia malayi beta-lactamase family protein 0.0068 0.0513 0.0795
Loa Loa (eye worm) hypothetical protein 0.0546 0.5707 1
Schistosoma mansoni patched 1 0.0049 0.031 0.0445
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0079 0.0638 0.1264
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Onchocerca volvulus 0.0068 0.0513 0.0721
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0034 0.0146 0.0289
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0015 0.0023
Onchocerca volvulus 0.0033 0.014 0.0104
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0077 0.0152
Echinococcus granulosus expressed conserved protein 0.0107 0.0944 0.1352
Echinococcus granulosus tumor protein p63 0.0392 0.4037 0.5787
Onchocerca volvulus Fatty acid synthase homolog 0.0584 0.6127 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1742 0.2497
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0344 0.3519 0.6979
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0077 0.015
Mycobacterium leprae conserved hypothetical protein 0.0068 0.0513 0.0879
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.1742 0.3053
Mycobacterium ulcerans polyketide synthase MbtC 0.0081 0.0662 0.1312
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.005 0.0318 0.0629
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0077 0.0152
Loa Loa (eye worm) hypothetical protein 0.004 0.0207 0.0363
Mycobacterium tuberculosis Probable thioesterase TesA 0.027 0.2713 0.5379
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0576 0.101
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.005 0.0318 0.0557
Onchocerca volvulus 0.0057 0.0401 0.0536
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0041 0.0221 0.0439
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0081 0.0662 1
Plasmodium falciparum acyl carrier protein 0.0033 0.0133 0.2016
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0233 0.2308 0.4576
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0077 0.0119
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0033 0.0133 0.0263
Mycobacterium ulcerans beta-lactamase 0.0068 0.0513 0.1018
Entamoeba histolytica acyl-CoA synthetase, putative 0.006 0.0432 0.4159
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.021 0.2063 0.5842
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0068 0.0513 0.1016
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0344 0.3519 0.6978
Leishmania major carbonic anhydrase-like protein 0.0181 0.1742 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0077 0.0615
Schistosoma mansoni carbonic anhydrase 0.0067 0.0507 0.0727
Entamoeba histolytica acyl-CoA synthetase, putative 0.0034 0.0146 0.1303
Brugia malayi Phosphopantetheine attachment site family protein 0.0033 0.0133 0.0207
Mycobacterium ulcerans hypothetical protein 0.0033 0.0133 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.031 0.3587
Schistosoma mansoni methyltransferase-related 0.0098 0.0839 0.1202

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.44 uM Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay ChEMBL. 22487176
IC50 (binding) = 8.51 uM Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay ChEMBL. 22487176

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

1 literature reference was collected for this gene.

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