Detailed information for compound 1140377

Basic information

Technical information
  • TDR Targets ID: 1140377
  • Name: N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin -1-yl]ethyl]furan-2-carboxamide
  • MW: 354.403 | Formula: C19H22N4O3
  • H donors: 2 H acceptors: 2 LogP: 1.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
  • InChi: 1S/C19H22N4O3/c24-18(17-6-3-13-26-17)20-9-12-22-10-7-14(8-11-22)23-16-5-2-1-4-15(16)21-19(23)25/h1-6,13-14H,7-12H2,(H,20,24)(H,21,25)
  • InChiKey: VINUTNSITPWXDD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]furan-2-carboxamide
  • N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-furancarboxamide
  • N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-furamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase D1, phosphatidylcholine-specific Starlite/ChEMBL References
Rattus norvegicus Phospholipase D1 References
Homo sapiens phospholipase D2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Candida albicans Phospholipase D:required for commitment to meiosis Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum expressed protein Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D, putative Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma mansoni phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D active site domain-containing protein Get druggable targets OG5_128363 All targets in OG5_128363
Brugia malayi Phospholipase d protein 1 Get druggable targets OG5_128363 All targets in OG5_128363
Entamoeba histolytica phospholipase D, putative Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus multilocularis phospholipase D1 Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus granulosus phospholipase D Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum ko:K01115 phospholipase D [EC3.1.4.4], putative Get druggable targets OG5_128363 All targets in OG5_128363
Echinococcus granulosus phospholipase D1 Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum ko:K01115 phospholipase D [EC3.1.4.4], putative Get druggable targets OG5_128363 All targets in OG5_128363
Candida albicans Phospholipase D:required for commitment to meiosis Get druggable targets OG5_128363 All targets in OG5_128363
Schistosoma japonicum Phospholipase D1, putative Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128363 All targets in OG5_128363
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
Loa Loa (eye worm) hypothetical protein 0.014 0.1152 0.1152
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0055 0.0233 0.0405
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0055 0.0233 0.0288
Loa Loa (eye worm) hypothetical protein 0.0187 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0052 0.0202 0.0554
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Loa Loa (eye worm) oxidoreductase 0.0055 0.0229 0.0229
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Entamoeba histolytica phospholipase D, putative 0.0179 0.1587 0.5126
Onchocerca volvulus 0.0055 0.0233 0.0233
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0065 0.0063
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0694 0.7196 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0055 0.0229 0.0461
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0065 0.0063
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0187 0.1666 0.4511
Leishmania major cysteine peptidase A (CPA) 0.0055 0.0233 0.0324
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0187 0.1666 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0055 0.0229 0.0461
Trypanosoma cruzi cysteine peptidase, putative 0.021 0.1925 0.2609
Brugia malayi hypothetical protein 0.0315 0.3064 0.3064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0113 0.0864 0.274
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0055 0.0229 0.1023
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0187 0.1666 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0302 0.0883
Loa Loa (eye worm) hypothetical protein 0.0042 0.0091 0.0091
Echinococcus multilocularis cysteine protease 0.0055 0.0233 0.0288
Echinococcus granulosus cathepsin l cysteine peptidase 0.0055 0.0233 0.0288
Brugia malayi MH2 domain containing protein 0.0411 0.4115 0.4115
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0055 0.0229 0.0461
Brugia malayi Phospholipase D. Active site motif family protein 0.0063 0.0313 0.0313
Entamoeba histolytica phospholipase D active site domain-containing protein 0.0151 0.1274 0.4092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Schistosoma mansoni transcription factor LCR-F1 0.0315 0.3064 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0165 0.1435 0.1435
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Leishmania major acetyl-CoA synthetase, putative 0.0055 0.0229 0.0318
Mycobacterium ulcerans acyl-CoA synthetase 0.0187 0.1666 0.4511
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0055 0.0229 0.2083
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0132 0.1069 0.2828
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0055 0.0233 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Loa Loa (eye worm) fibroinase 0.0055 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.014 0.1152 0.1152
Leishmania major 4-coumarate:coa ligase-like protein 0.0187 0.1666 0.2316
Loa Loa (eye worm) hypothetical protein 0.014 0.1152 0.1152
Brugia malayi Pre-SET motif family protein 0.0062 0.0302 0.0302
Leishmania major cathepsin L-like protease 0.021 0.1925 0.2675
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0091 0.0091
Echinococcus granulosus chromobox protein 1 0.0075 0.0451 0.0557
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0055 0.0229 0.0461
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0694 0.7196 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Toxoplasma gondii cathepsin CPL 0.0055 0.0233 0.214
Brugia malayi Cathepsin L-like cysteine proteinase 0.0037 0.0034 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0302 0.0883
Schistosoma mansoni acetyl-CoA synthetase 0.0055 0.0229 0.0642
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0055 0.0229 0.0642
Echinococcus granulosus cathepsin L cysteine proteinase 0.0055 0.0233 0.0288
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0055 0.0229 0.0229
Leishmania major cathepsin L-like protease 0.0055 0.0233 0.0324
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0034
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.2403 0.6584
Brugia malayi beta-lactamase family protein 0.004 0.0065 0.0065
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0055 0.0229 0.0461
Leishmania major mitochondrial DNA polymerase beta 0.0694 0.7196 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1274 0.1274
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Leishmania major 4-coumarate:coa ligase-like protein 0.0187 0.1666 0.2316
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0119 0.0927 0.121
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0233 0.0657
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0055 0.0229 0.0229
Loa Loa (eye worm) cysteine protease 0.0055 0.0233 0.0233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0065 0.0102
Trypanosoma cruzi major cysteine proteinase, putative 0.0165 0.1434 0.192
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0055 0.0229 0.023
Brugia malayi AMP-binding enzyme family protein 0.0187 0.1666 0.1666
Trichomonas vaginalis antibiotic synthetase, putative 0.0055 0.0229 0.0396
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0202 0.0202
Mycobacterium ulcerans hypothetical protein 0.0365 0.3616 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Loa Loa (eye worm) hypothetical protein 0.014 0.1152 0.1152
Leishmania major 4-coumarate:coa ligase-like protein 0.0187 0.1666 0.2316
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0187 0.1666 0.4511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0065 0.0063
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.0229 0.1023
Schistosoma mansoni hypothetical protein 0.0052 0.0202 0.0554
Echinococcus multilocularis phospholipase D1 0.0179 0.1587 0.1959
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0328 0.3211 0.4463
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0055 0.0229 0.023
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0065 0.0063
Trypanosoma brucei cardiolipin synthetase, putative 0.0063 0.0313 0.0348
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0202 0.0202
Onchocerca volvulus 0.0055 0.0229 0.0229
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0055 0.0229 0.1023
Brugia malayi Phospholipase d protein 1 0.0179 0.1587 0.1587
Schistosoma mansoni phospholipase D 0.0179 0.1587 0.5126
Loa Loa (eye worm) hypothetical protein 0.0052 0.0202 0.0202
Leishmania major cathepsin L-like protease 0.021 0.1925 0.2675
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0202 0.0249
Mycobacterium ulcerans acyl-CoA synthetase 0.0187 0.1666 0.4511
Trypanosoma cruzi cardiolipin synthetase, putative 0.0063 0.0313 0.0348
Entamoeba histolytica phospholipase D, putative 0.0179 0.1587 0.5126
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0055 0.0229 0.023
Echinococcus multilocularis GPCR, family 2 0.0052 0.0202 0.0249
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0052 0.0202 0.0554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Toxoplasma gondii propionate-CoA ligase 0.0055 0.0229 0.2083
Brugia malayi Cathepsin L-like precursor 0.0037 0.0034 0.0034
Loa Loa (eye worm) transcription factor SMAD2 0.0411 0.4115 0.4115
Entamoeba histolytica acyl-coA synthetase, putative 0.0187 0.1666 0.5388
Echinococcus multilocularis chromobox protein 1 0.0075 0.0451 0.0557
Echinococcus multilocularis cathepsin L cysteine protease 0.0055 0.0233 0.0288
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0098 0.0695 0.0883
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Trypanosoma cruzi cysteine peptidase, putative 0.021 0.1925 0.2609
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Echinococcus granulosus phospholipase D 0.0158 0.1359 0.1677
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0055 0.0229 0.023
Onchocerca volvulus 0.0055 0.0233 0.0233
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0202 0.0202
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0055 0.0233 0.0405
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0302 0.0372
Brugia malayi Heterochromatin protein 1 0.0075 0.0451 0.0451
Loa Loa (eye worm) beta-lactamase 0.004 0.0065 0.0065
Onchocerca volvulus 0.0055 0.0229 0.0229
Onchocerca volvulus Cathepsin L homolog 0.0055 0.0233 0.0233
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0328 0.3211 0.4412
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Brugia malayi cathepsin L-like precursor 0.0037 0.0034 0.0034
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0098 0.0695 0.0883
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0146 0.0227
Plasmodium vivax vivapain-2 0.0055 0.0233 0.1548
Plasmodium vivax vivapain-2 0.0055 0.0233 0.1548
Loa Loa (eye worm) hypothetical protein 0.0951 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0065 0.0065
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0302 0.0372
Echinococcus granulosus GPCR family 2 0.0052 0.0202 0.0249
Echinococcus multilocularis cysteine protease 0.0055 0.0233 0.0288
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0126 0.0186
Loa Loa (eye worm) hypothetical protein 0.0037 0.0034 0.0034
Brugia malayi AMP-binding enzyme family protein 0.0187 0.1666 0.1666
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Entamoeba histolytica acyl-CoA synthetase, putative 0.0187 0.1666 0.5388
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0229 0.0461
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0302 0.0883
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0165 0.1435 0.1435
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0065 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0132 0.1069 0.2828
Schistosoma mansoni hypothetical protein 0.0315 0.3064 1
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0055 0.0229 0.0461
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0055 0.0229 0.023
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0187 0.1666 0.4511
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0055 0.0229 0.0461
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Onchocerca volvulus Cathepsin L homolog 0.0055 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0117 0.0905 0.0905
Brugia malayi chromobox protein homolog 3 0.0042 0.0091 0.0091
Leishmania major cathepsin L-like protease 0.0055 0.0233 0.0324
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Onchocerca volvulus 0.0055 0.0233 0.0233
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0202 0.0249
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0065 0.008
Entamoeba histolytica hypothetical protein 0.0315 0.3064 1
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0063 0.0313 0.3159
Trypanosoma cruzi cruzipain precursor, putative 0.021 0.1925 0.2609
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0429 0.4307 0.4307
Mycobacterium ulcerans acetyl-CoA synthetase 0.0055 0.0229 0.0461
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0055 0.0229 0.0461
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0277 0.0342
Trichomonas vaginalis esterase, putative 0.004 0.0065 0.0063
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Mycobacterium ulcerans hypothetical protein 0.0187 0.1666 0.4511
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0192 0.1726 0.233
Onchocerca volvulus 0.0055 0.0229 0.0229
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0055 0.0229 0.0461
Mycobacterium ulcerans acyl-CoA synthetase 0.0187 0.1666 0.4511
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Echinococcus multilocularis tumor protein p63 0.0777 0.8101 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0187 0.1666 0.5388
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Onchocerca volvulus 0.0055 0.0229 0.0229
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0126 0.0186
Trypanosoma cruzi cysteine peptidase, putative 0.021 0.1925 0.2609
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0202 0.0249
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0451 0.0451
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0202 0.0249
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Onchocerca volvulus 0.0055 0.0233 0.0233
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0302 0.0372
Echinococcus granulosus cathepsin l1 0.0055 0.0233 0.0288
Echinococcus granulosus cathepsin l1 0.0037 0.0034 0.0042
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Brugia malayi Calcitonin receptor-like protein seb-1 0.0165 0.1435 0.1435
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Echinococcus multilocularis chromobox protein 1 0.0075 0.0451 0.0557
Onchocerca volvulus 0.004 0.0065 0.0065
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0132 0.1069 0.2828
Schistosoma mansoni chromobox protein 0.0075 0.0451 0.1376
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0315 0.3064 0.3782
Onchocerca volvulus 0.004 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0187 0.1666 0.1666
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.0864 0.0864
Trypanosoma brucei cardiolipin synthetase 0.0063 0.0313 0.0348
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0114 0.0871 0.0871
Loa Loa (eye worm) ctsf protein 0.0055 0.0233 0.0233
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0055 0.0233 0.0233
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.014 0.1152 0.3062
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0055 0.0229 0.0461
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0055 0.0233 0.0288
Leishmania major hypothetical protein, conserved 0.004 0.0065 0.009
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0055 0.0229 0.0282
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0055 0.0229 0.0461
Echinococcus multilocularis phospholipase D 0.0158 0.1359 0.1677
Echinococcus granulosus chromobox protein 1 0.0075 0.0451 0.0557
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0055 0.0229 0.0229
Brugia malayi AMP-binding enzyme family protein 0.0187 0.1666 0.1666
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0315 0.3064 0.3782
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0187 0.1666 0.4511
Onchocerca volvulus 0.0074 0.0436 0.0436
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0055 0.0229 0.2083
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.0233 0.0657
Entamoeba histolytica hypothetical protein 0.0315 0.3064 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0328 0.3211 0.4412
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0132 0.1069 0.2828
Loa Loa (eye worm) hypothetical protein 0.0062 0.0302 0.0302
Echinococcus granulosus phospholipase D1 0.0179 0.1587 0.1959
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0055 0.0233 0.0049
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0098 0.0695 0.0883
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Plasmodium vivax SET domain protein, putative 0.0062 0.0302 0.2179
Plasmodium vivax acetyl-CoA synthetase, putative 0.0055 0.0229 0.1507
Loa Loa (eye worm) hypothetical protein 0.0113 0.0864 0.0864
Onchocerca volvulus 0.0055 0.0233 0.0233
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0451 0.0848
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0055 0.0229 0.0461
Onchocerca volvulus 0.0488 0.4953 0.4953
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0065 0.0065
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.0233 0.0657
Leishmania major cathepsin L-like protease 0.0055 0.0233 0.0324
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0055 0.0229 0.0461
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0229 0.0461
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0187 0.1666 0.4511
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0055 0.0229 0.0461
Onchocerca volvulus 0.0037 0.0034 0.0034
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.3616 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1666 0.1666
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Trichomonas vaginalis antibiotic synthetase, putative 0.0055 0.0229 0.0396
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0091 0.0115
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0055 0.0229 0.0461
Onchocerca volvulus 0.004 0.0065 0.0065
Brugia malayi Papain family cysteine protease containing protein 0.0055 0.0233 0.0233
Onchocerca volvulus 0.0114 0.0871 0.0871
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0098 0.0695 0.0883
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0229 0.0461
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0091 0.0115
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0233 0.0657
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.0233 0.0236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Leishmania major cathepsin L-like protease 0.0055 0.0233 0.0324
Leishmania major cathepsin L-like protease 0.021 0.1925 0.2675
Plasmodium vivax acyl-CoA synthetase, putative 0.014 0.1152 1
Onchocerca volvulus 0.0055 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0055 0.0229 0.0229
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0694 0.7196 1
Brugia malayi Cathepsin L-like precursor 0.0055 0.0233 0.0233
Toxoplasma gondii hypothetical protein 0.0112 0.0851 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0233 0.0233
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0229 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0065 0.0063
Brugia malayi beta-lactamase 0.004 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0233 0.0405
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0165 0.1435 0.1435
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.021 0.1925 0.2609
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0055 0.0233 0.0405
Trichomonas vaginalis set domain proteins, putative 0.0488 0.4953 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0411 0.4115 0.4115
Brugia malayi beta-lactamase family protein 0.004 0.0065 0.0065
Entamoeba histolytica cysteine protease, putative 0.0055 0.0233 0.0657
Loa Loa (eye worm) hypothetical protein 0.0151 0.1274 0.1274
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0065 0.008
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0187 0.1666 0.4511
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0074 0.0436 0.1326
Onchocerca volvulus 0.0187 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0052 0.0202 0.0554
Schistosoma mansoni cellular tumor antigen P53 0.0114 0.0871 0.2761
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.014 0.1152 0.1152
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0055 0.0233 0.0233
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0451 0.0848
Mycobacterium ulcerans fatty-acid-CoA ligase 0.014 0.1152 0.3062
Onchocerca volvulus Cathepsin F homolog 0.0055 0.0233 0.0233
Echinococcus granulosus tumor protein p63 0.0777 0.8101 1
Schistosoma mansoni chromobox protein 0.0075 0.0451 0.1376
Onchocerca volvulus 0.0951 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0905 0.0905
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.014 0.1152 0.5
Entamoeba histolytica hypothetical protein 0.0315 0.3064 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0055 0.0229 0.0282
Loa Loa (eye worm) hypothetical protein 0.0055 0.0229 0.0229
Leishmania major cathepsin L-like protease 0.0055 0.0233 0.0324
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0055 0.0229 0.023
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0302 0.3013
Trypanosoma cruzi cardiolipin synthetase, putative 0.0063 0.0313 0.0348
Echinococcus multilocularis cathepsin L cysteine protease 0.0055 0.0233 0.0288
Plasmodium falciparum acyl-CoA synthetase 0.014 0.1152 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0055 0.0229 0.0318
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0229 0.0461
Leishmania major acetyl-CoA synthetase, putative 0.0055 0.0229 0.0318
Onchocerca volvulus 0.0055 0.0233 0.0233
Brugia malayi Pre-SET motif family protein 0.0429 0.4307 0.4307
Plasmodium falciparum cysteine proteinase falcipain 3 0.0055 0.0233 0.0049
Entamoeba histolytica hypothetical protein 0.0315 0.3064 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22 nM Inhibition of PLD1 in human Calu-1 cells assessed as decrease in phosphatidylbutanol-[d9] production after 30 mins by mass spectrometric analysis ChEMBL. 19136975
IC50 (binding) = 360 nM Inhibition of human PLD1 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay ChEMBL. 19136975
IC50 (binding) = 450 nM Inhibition of GFP-tagged human PLD2 expressed in human HEK293 cells assessed as decrease in phosphatidylbutanol-[d9] production after 30 mins by mass spectrometric analysis ChEMBL. 19136975
IC50 (binding) = 790 nM Inhibition of N-terminally truncated rat PLD1 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay ChEMBL. 19136975
IC50 (binding) = 1400 nM Inhibition of human PLD2 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay ChEMBL. 19136975

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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