Detailed information for compound 415793

Basic information

Technical information
  • TDR Targets ID: 415793
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidaz ol-1-ylpyrimidin-4-yl)morpholin-3-yl]acetamid e
  • MW: 422.437 | Formula: C21H22N6O4
  • H donors: 1 H acceptors: 4 LogP: 0.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1COCCN1c1ccnc(n1)n1cncc1)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C21H22N6O4/c28-20(24-11-15-1-2-17-18(9-15)31-14-30-17)10-16-12-29-8-7-27(16)19-3-4-23-21(25-19)26-6-5-22-13-26/h1-6,9,13,16H,7-8,10-12,14H2,(H,24,28)
  • InChiKey: MQSBSZNNVXQJSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-4-pyrimidinyl]-3-morpholinyl]acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]ethanamide
  • 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]-N-piperonyl-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

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 hypothetical protein 0.0101 0.0715 0.0715
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0754 0.0749
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0101 0.0715 0.0784
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0462 0.0457
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0114 0.0123
Echinococcus multilocularis long chain fatty acid transport protein 4 0.1072 0.9239 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0162 0.017
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0101 0.0715 0.0774
Echinococcus granulosus methionine synthase reductase 0.002 0.0005 0.0006
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.015 0.1146 0.1257
Leishmania major hypothetical protein, conserved 0.0038 0.0162 0.0089
Brugia malayi AMP-binding enzyme family protein 0.015 0.1146 0.1141
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0155 0.1189 0.1184
Mycobacterium leprae Probable polyketide synthase Pks1 0.0056 0.032 0.0352
Loa Loa (eye worm) hypothetical protein 0.0105 0.0754 0.0749
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0114 0.0117
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0054 0.0304 0.0208
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0162 0.0178
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0155 0.1189 0.1287
Entamoeba histolytica acyl-CoA synthetase, putative 0.0106 0.0761 1
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0291 0.2942
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0123 0.0117
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0101 0.0715 0.0715
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0236 0.0256
Schistosoma mansoni voltage-gated cation channel 0.0155 0.1189 0.1282
Brugia malayi hypothetical protein 0.0052 0.0291 0.0285
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0162 0.1271
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1156 0.1251
Mycobacterium ulcerans polyketide synthase Pks9 0.0035 0.0136 0.0136
Leishmania major 4-coumarate:coa ligase-like protein 0.0101 0.0715 0.0701
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0114 0.0036
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0142 0.0154
Brugia malayi beta-lactamase 0.0038 0.0162 0.0157
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0053 0.0292 0.032
Onchocerca volvulus 0.0192 0.1518 1
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0087 0.0592 0.0649
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.0084
Chlamydia trachomatis sulfite reductase 0.002 0.0005 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.1058 0.9116 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0162 0.0053
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0101 0.0715 0.0784
Loa Loa (eye worm) beta-lactamase 0.0038 0.0162 0.0157
Mycobacterium tuberculosis Conserved protein 0.0038 0.0162 0.0178
Echinococcus granulosus GPCR family 2 0.0033 0.0123 0.0133
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.1159 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0142 0.1869
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.1058 0.9116 1
Echinococcus granulosus long chain fatty acid transport protein 4 0.1072 0.9239 1
Leishmania major acetyl-CoA synthetase, putative 0.0101 0.0715 0.0701
Schistosoma mansoni hypothetical protein 0.0033 0.0123 0.0127
Brugia malayi Muscleblind-like protein 0.0151 0.1156 0.1151
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0155 0.1189 0.1282
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.1072 0.9239 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0106 0.0761 0.0756
Mycobacterium ulcerans Type I modular polyketide synthase 0.0053 0.0292 0.0292
Echinococcus granulosus voltage dependent calcium channel 0.0155 0.1189 0.1287
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0162 0.1271
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0106 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0151 0.1156 0.1151
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.1072 0.9239 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0101 0.0715 0.0715
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0162 0.1271
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0053 0.0292 0.032
Brugia malayi hypothetical protein 0.0034 0.0128 0.0122
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0155 0.1189 0.1287
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0142 0.0154
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0053 0.0292 0.0292
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0101 0.0715 0.0784
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0291 0.3301
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0101 0.0715 1
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0162 0.0178
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0021 0.0017 0.0019
Brugia malayi AMP-binding enzyme family protein 0.003 0.0095 0.009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0123 0.0133
Leishmania major p450 reductase, putative 0.0032 0.0114 0.0036
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0123 0.0117
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0162 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0162 0.1271
Brugia malayi hypothetical protein 0.0036 0.0142 0.0137
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0042 0.0202 0.0202
Mycobacterium ulcerans thioesterase 0.0044 0.0215 0.0215
Trichomonas vaginalis antibiotic synthetase, putative 0.0101 0.0715 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0162 0.1271
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0101 0.0715 0.0715
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0106 0.0761 0.0835
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0162 0.0178
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0155 0.1189 0.1287
Loa Loa (eye worm) hypothetical protein 0.0054 0.0304 0.0299
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0056 0.032 0.0352
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0101 0.0715 0.0784
Echinococcus multilocularis methionine synthase reductase 0.002 0.0005 0.0006
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0101 0.0715 0.0659
Mycobacterium tuberculosis Probable thioesterase TesA 0.0044 0.0215 0.0236
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0056 0.032 0.0352
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0101 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.0047 0.0247 0.0241
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0035 0.0136 0.0149
Mycobacterium tuberculosis Conserved protein 0.0038 0.0162 0.0178
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0056 0.032 0.0352
Mycobacterium tuberculosis Conserved protein 0.0038 0.0162 0.0178
Loa Loa (eye worm) hypothetical protein 0.0101 0.0715 0.071
Entamoeba histolytica acyl-coA synthetase, putative 0.0101 0.0715 0.9388
Loa Loa (eye worm) hypothetical protein 0.0101 0.0715 0.071
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0162 0.0053
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0101 0.0715 0.0784
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0162 0.0162
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0236 0.0256
Loa Loa (eye worm) hypothetical protein 0.0032 0.0114 0.0108
Mycobacterium leprae Polyketide synthase Pks13 0.0079 0.052 0.057
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.1948 0.2137
Mycobacterium ulcerans polyketide synthase 0.0056 0.032 0.032
Entamoeba histolytica hypothetical protein 0.0036 0.0142 0.1869
Schistosoma mansoni hypothetical protein 0.0072 0.0462 0.0494
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0236 0.0231
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0101 0.0715 0.0774
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0101 0.0715 0.0659
Loa Loa (eye worm) hypothetical protein 0.0151 0.1156 0.1151
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0101 0.0715 0.9388
Loa Loa (eye worm) hypothetical protein 0.0101 0.0715 0.071
Leishmania major acetyl-CoA synthetase, putative 0.0101 0.0715 0.0701
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0056 0.032 0.032
Entamoeba histolytica acyl-CoA synthetase, putative 0.0101 0.0715 0.9388
Brugia malayi FAD binding domain containing protein 0.0032 0.0114 0.0108
Echinococcus multilocularis GPCR, family 2 0.0033 0.0123 0.0133
Loa Loa (eye worm) AMP-binding enzyme family protein 0.015 0.1146 0.1141
Onchocerca volvulus 0.0106 0.0761 0.4421
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0101 0.0715 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Echinococcus granulosus muscleblind protein 0.0151 0.1156 0.1251
Toxoplasma gondii ABC1 family protein 0.0038 0.0162 0.0551
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0101 0.0715 0.0784
Loa Loa (eye worm) hypothetical protein 0.0072 0.0462 0.0457
Schistosoma mansoni hypothetical protein 0.0033 0.0123 0.0127
Brugia malayi beta-lactamase family protein 0.0038 0.0162 0.0157
Mycobacterium leprae Probable lipase LipE 0.0038 0.0162 0.0178
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0106 0.0761 0.0835
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0051 0.0278 0.0305
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0041 0.0187 0.0971
Echinococcus multilocularis voltage dependent calcium channel 0.0155 0.1189 0.1287
Schistosoma mansoni FFA transport protein 0.1072 0.9239 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0162 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0162 0.0803
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0101 0.0715 0.0715
Loa Loa (eye worm) voltage-dependent calcium channel 0.0054 0.0304 0.0299
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0051 0.0278 0.0305
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0114 0.0123
Brugia malayi flavodoxin family protein 0.0032 0.0114 0.0108
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0101 0.0715 0.0784
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0079 0.052 0.057
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0123 0.0117
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0155 0.1189 0.1287
Schistosoma mansoni hypothetical protein 0.0036 0.0142 0.0148
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1159 1 1
Echinococcus granulosus voltage dependent calcium channel 0.0054 0.0304 0.0329
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0106 0.0761 0.0835
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Loa Loa (eye worm) calcium channel 0.0155 0.1189 0.1184
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0162 0.0157
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0114 0.0123
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0044 0.0215 0.0236
Schistosoma mansoni acetyl-CoA synthetase 0.0101 0.0715 0.0768
Loa Loa (eye worm) acyl carrier protein 0.0024 0.0043 0.0037
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0106 0.0761 0.0761
Giardia lamblia Hypothetical protein 0.0029 0.0082 0.5
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0715 0.071
Loa Loa (eye worm) hypothetical protein 0.0101 0.0715 0.071
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0715 0.071
Trichomonas vaginalis esterase, putative 0.0038 0.0162 0.1271
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0114 0.0123
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0101 0.0715 0.0784
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0101 0.0715 0.0701
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0042 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Onchocerca volvulus 0.0101 0.0715 0.4077
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0101 0.0715 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0162 0.0178
Mycobacterium ulcerans polyketide synthase 0.0053 0.0292 0.0292
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0101 0.0715 0.0784
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0114 0.0509
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0162 0.0175
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0123 0.0133
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0114 0.0108
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0715 0.071
Toxoplasma gondii transporter, cation channel family protein 0.0054 0.0304 0.2975
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0715 0.071
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0053 0.0292 0.0287
Mycobacterium ulcerans beta-lactamase 0.0038 0.0162 0.0162
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.003 0.0093 0.0102
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0142 0.0148
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0754 0.0749
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Loa Loa (eye worm) fatty acid synthase 0.0052 0.0286 0.028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0236 0.0256
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0101 0.0715 0.0715
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0101 0.0715 0.071
Loa Loa (eye worm) hypothetical protein 0.0155 0.1189 0.1184
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0162 0.0178
Mycobacterium ulcerans polyketide synthase Pks13 0.0079 0.052 0.052
Leishmania major fatty acid transporter protein-like protein 0.1058 0.9116 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0162 0.0175
Onchocerca volvulus Fatty acid synthase homolog 0.0095 0.0662 0.3689
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0106 0.0761 0.0761
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0155 0.1189 0.1287
Loa Loa (eye worm) hypothetical protein 0.0033 0.0123 0.0117
Toxoplasma gondii hypothetical protein 0.0047 0.0247 0.1999
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0162 0.0178
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0042 0.0202 0.0221
Trichomonas vaginalis antibiotic synthetase, putative 0.0101 0.0715 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0123 0.0133
Mycobacterium ulcerans Type I modular polyketide synthase 0.0053 0.0292 0.0292
Mycobacterium ulcerans Type I modular polyketide synthase 0.0053 0.0292 0.0292
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0038 0.0162 0.0178
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0106 0.0761 0.0835
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0236 0.025
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0155 0.1189 0.1282
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0291 0.0194
Onchocerca volvulus 0.015 0.1146 0.7256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0236 0.025
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0291 0.0194
Schistosoma mansoni hypothetical protein 0.0349 0.2894 0.3129
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0101 0.0715 0.0659
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0101 0.0715 0.0784
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0032 0.0114 0.0114
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0053 0.0292 0.032
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.0082 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0056 0.032 0.032
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0101 0.0715 0.0784
Echinococcus multilocularis muscleblind protein 0.0151 0.1156 0.1251
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0101 0.0715 0.0784
Schistosoma mansoni hypothetical protein 0.0033 0.0123 0.0127
Echinococcus multilocularis geminin 0.0349 0.2894 0.3133
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.01 0.0705 0.07
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0054 0.0304 0.3163
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0162 0.017
Brugia malayi AMP-binding enzyme family protein 0.0101 0.0715 0.071
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0236 0.0231
Loa Loa (eye worm) hypothetical protein 0.0047 0.0247 0.0241
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0162 0.0178
Loa Loa (eye worm) hypothetical protein 0.0052 0.0291 0.0285
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0114 0.0509
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0037 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0754 0.0749
Toxoplasma gondii type I fatty acid synthase, putative 0.0037 0.0159 0.0498
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0037 0.004
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0101 0.0715 0.0659
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0236 0.025
Loa Loa (eye worm) hypothetical protein 0.0102 0.0728 0.0723
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0035 0.0136 0.0136
Mycobacterium ulcerans thioesterase TesA 0.0044 0.0215 0.0215
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0291 0.2749
Echinococcus granulosus geminin 0.0349 0.2894 0.3133
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0155 0.1189 0.1287
Schistosoma mansoni hypothetical protein 0.0349 0.2894 0.3129
Schistosoma mansoni hypothetical protein 0.0024 0.0037 0.0034
Loa Loa (eye worm) hypothetical protein 0.0101 0.0715 0.071
Loa Loa (eye worm) oxidoreductase 0.0101 0.0715 0.071
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0101 0.0715 1
Echinococcus multilocularis voltage dependent calcium channel 0.0155 0.1189 0.1287
Leishmania major 4-coumarate:coa ligase-like protein 0.0101 0.0715 0.0701
Leishmania major hypothetical protein, conserved 0.0052 0.0291 0.0231
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0155 0.1189 0.1287
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0157
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0101 0.0715 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0106 0.0761 0.0835
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0291 0.2942
Entamoeba histolytica hypothetical protein 0.0036 0.0142 0.1869
Toxoplasma gondii propionate-CoA ligase 0.0101 0.0715 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0106 0.0761 0.0761
Mycobacterium ulcerans hypothetical protein 0.0038 0.0162 0.0162
Leishmania major 4-coumarate:coa ligase-like protein 0.0101 0.0715 0.0701
Entamoeba histolytica hypothetical protein 0.0036 0.0142 0.1869
Onchocerca volvulus 0.0101 0.0715 0.4077
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0079 0.052 0.057
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0291 0.2942
Schistosoma mansoni hypothetical protein 0.0033 0.0123 0.0127
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0053 0.0292 0.032
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0053 0.0292 0.032
Toxoplasma gondii type I fatty acid synthase, putative 0.007 0.0443 0.5361
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0236 0.0256
Plasmodium vivax acetyl-CoA synthetase, putative 0.0101 0.0715 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0043 0.0208 0.0228
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0106 0.0761 0.0761
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0162 0.0162
Mycobacterium ulcerans acyl-CoA synthetase 0.0101 0.0715 0.0715
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0162 0.0178
Brugia malayi beta-lactamase family protein 0.0038 0.0162 0.0157
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0056 0.032 0.0352
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0056 0.032 0.0352
Mycobacterium ulcerans acetyl-CoA synthetase 0.0101 0.0715 0.0715
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0162 0.1271
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0123 0.0133
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0101 0.0715 0.0715

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activity against rat cerebellum iNOS upto 1 uM ChEMBL. 17315988
Activity (binding) 0 Activity against rat cerebellum iNOS upto 1 uM ChEMBL. 17315988
IC50 (binding) = 0.5 nM Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation ChEMBL. 17315988
IC50 (binding) = 0.5 nM Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation ChEMBL. 17315988

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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