Detailed information for compound 1280940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.453 | Formula: C22H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.14 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1=C2C(=Nc3c(N(C2c2cccn2C)C(=O)C)cccc3)CC(C1)(C)C
  • InChi: 1S/C22H25N3O2/c1-14(26)25-17-9-6-5-8-15(17)23-16-12-22(2,3)13-19(27)20(16)21(25)18-10-7-11-24(18)4/h5-11,21,27H,12-13H2,1-4H3
  • InChiKey: QLTCMICEMXVEGB-UHFFFAOYSA-N  


Substructure search Similarity search

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 glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.026 0.026
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0296 0.2161
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.002 0.0319 0.0884
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.349 0.349
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0296 0.2161
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.026 0.026
Loa Loa (eye worm) glutathione reductase 0.0048 0.1206 0.1206
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.026 0.026
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0672 0.0672
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.002 0.0319 0.0884
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1206 0.1206
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.002 0.0319 0.0319
Schistosoma mansoni hypothetical protein 0.0011 0.0045 0.0045
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0459 0.1273
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0459 0.3073
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0226 0.0627
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.026 0.0625
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.002 0.0319 0.0884
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.002 0.0319 0.0319
Brugia malayi Cytochrome P450 family protein 0.005 0.1253 0.3475
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0296 0.0202
Leishmania major importin beta-1 subunit, putative 0.0025 0.049 0.3835
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1206 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1206 0.1206
Echinococcus granulosus importin subunit beta 1 0.0031 0.0672 0.0672
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1715 0.4754
Brugia malayi TAR-binding protein 0.0064 0.1715 0.4754
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0296 0.0296
Brugia malayi RNA, U transporter 1 0.0088 0.245 0.6792
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0054 0.1394 1
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0036 0.0827 0.0827
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.002 0.0319 0.0319
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0296 0.0724
Schistosoma mansoni hypothetical protein 0.0017 0.0226 0.0226
Schistosoma mansoni nuclear hormone receptor 0.0018 0.026 0.026
Plasmodium vivax importin-beta 2, putative 0.0031 0.0672 0.4547
Onchocerca volvulus 0.002 0.0319 0.0789
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.0319 0.0319
Schistosoma mansoni glycogen phosphorylase 0.0054 0.1394 0.1394
Echinococcus granulosus Glycosyl transferase family 35 0.0125 0.3607 0.3607
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.3125 0.8899
Trichomonas vaginalis importin beta-1, putative 0.0025 0.049 0.0777
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1206 1
Schistosoma mansoni ap endonuclease 0.0019 0.0296 0.0296
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.002 0.0319 0.0319
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0226 0.0226
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0459 0.1198
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0227 0.0528
Echinococcus granulosus tar DNA binding protein 0.0064 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0322 0.2389
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0024 0.0459 0.0459
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0459 0.3073
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.026 0.0722
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0319 0.0884
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Brugia malayi cytochrome P450 0.0011 0.0045 0.0124
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.002 0.0319 0.0884
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1157 0.1157
Echinococcus multilocularis snurportin 1 0.033 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.1206 0.3355
Schistosoma mansoni hypothetical protein 0.0017 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Schistosoma mansoni hypothetical protein 0.033 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.026 0.0625
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.026 0.026
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0418 0.1159
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0296 0.186
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0459 0.1182
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0418 0.1947
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0226 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.026 0.026
Loa Loa (eye worm) cytochrome P450 0.0011 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.026 0.0722
Echinococcus granulosus glycine receptor subunit beta 0.002 0.0319 0.0319
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0227 0.0227
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.002 0.0319 0.0319
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0418 0.3214
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0459 0.1198
Echinococcus granulosus nAChR subunit 0.0011 0.0037 0.0037
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0418 0.1947
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0418 0.3214
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.002 0.0319 0.0319
Brugia malayi carbohydrate phosphorylase 0.0125 0.3607 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1157 0.1157
Entamoeba histolytica glycogen phosphorylase, putative 0.0054 0.1394 0.3801
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0227 0.1354
Brugia malayi Cation transporter family protein 0.002 0.0319 0.0884
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.3506 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0269 0.0269
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.002 0.0319 0.0319
Schistosoma mansoni coup transcription factor 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1715 0.1715
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0296 0.2161
Onchocerca volvulus 0.002 0.0319 0.0789
Echinococcus granulosus glycogen phosphorylase 0.0125 0.3607 0.3607
Schistosoma mansoni hypothetical protein 0.0036 0.0827 0.0827
Echinococcus multilocularis Glycosyl transferase, family 35 0.0125 0.3607 0.3607
Echinococcus multilocularis nAChR subunit 0.002 0.0319 0.0319
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1157 0.1157
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.026 0.0625
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.002 0.0319 0.0319
Leishmania major trypanothione reductase 0.0048 0.1206 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0239 0.0561
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0459 0.1182
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0269 0.043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.026 0.026
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0459 0.1273
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0227 0.1573
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.026 0.0722
Schistosoma mansoni ran 0.0023 0.0418 0.0418
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0227 0.1573
Toxoplasma gondii thioredoxin reductase 0.0048 0.1206 1
Loa Loa (eye worm) ACC-1 protein 0.002 0.0319 0.0319
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.026 0.026
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0459 0.3073
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0269 0.065
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0319 0.0884
Leishmania major cytochrome p450-like protein 0.002 0.0322 0.2389
Entamoeba histolytica glycogen phosphorylase, putative 0.0125 0.3607 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.002 0.0319 0.0319
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0227 0.1573
Loa Loa (eye worm) hypothetical protein 0.0024 0.0459 0.0459
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1345 0.1345
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.3125 0.8899
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0269 0.043
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.3125 0.8899
Onchocerca volvulus Glycogen phosphorylase homolog 0.0125 0.3607 1
Loa Loa (eye worm) GABA receptor subunit 0.0011 0.0037 0.0037
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0296 0.2161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1157 0.1157
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0672 0.5405
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0296 0.0296
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.026 0.026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1345 0.3728
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) RNA binding protein 0.0064 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.049 0.0777
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.026 0.0722
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0459 0.3073
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.026 0.026
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.002 0.0319 0.0884
Schistosoma mansoni ran 0.0023 0.0418 0.0418
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1253 0.1253
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Echinococcus multilocularis glycogen phosphorylase 0.0125 0.3607 0.3607
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1345 0.3728
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0418 0.0564
Echinococcus granulosus nAChR subunit 0.002 0.0319 0.0319
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0319 0.0884
Schistosoma mansoni hypothetical protein 0.0172 0.5076 0.5076
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Brugia malayi nuclear receptor NHR-88 0.0018 0.026 0.0722
Trichomonas vaginalis glycogen phosphorylase, putative 0.0125 0.3607 1
Leishmania major GTP-binding protein, putative 0.0023 0.0418 0.3214
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0672 0.5405
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.026 0.026
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.026 0.0722
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.026 0.026
Entamoeba histolytica glycogen phosphorylase, putative 0.0054 0.1394 0.3801
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.002 0.0319 0.0319
Schistosoma mansoni glycogen phosphorylase 0.0125 0.3607 0.3607
Loa Loa (eye worm) ACC-1 protein 0.002 0.0319 0.0319
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0239 0.0561
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.026 0.026
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0296 0.0697
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0418 0.0418
Brugia malayi Cation transporter family protein 0.002 0.0319 0.0884
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0227 0.1573
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.026 0.0722
Brugia malayi Thioredoxin reductase 0.0048 0.1206 0.3344
Chlamydia trachomatis glycogen phosphorylase 0.0125 0.3607 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0322 0.0322
Brugia malayi excitatory GABA receptor EXP-1A 0.002 0.0319 0.0884
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0011 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0226 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1157 0.1157
Brugia malayi Cytochrome P450 family protein 0.002 0.0322 0.0893
Brugia malayi glutathione reductase 0.0048 0.1206 0.3344
Onchocerca volvulus 0.002 0.0319 0.0789
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0239 0.0561
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1715 0.1715
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0418 0.0418
Brugia malayi MH2 domain containing protein 0.0121 0.349 0.9676
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0011 0.0037 0.0037
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Schistosoma mansoni importin beta-1 0.0031 0.0672 0.0672
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.026 0.026
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.026 0.026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.026 0.026
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0054 0.1394 0.3898
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.026 0.0722
Echinococcus granulosus geminin 0.0172 0.5076 0.5076
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.026 0.026
Entamoeba histolytica hypothetical protein 0.0025 0.049 0.1269
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0227 0.1354
Plasmodium vivax glutathione reductase, putative 0.0048 0.1206 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.026 0.026
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0227 0.1573
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.3506 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0459 0.357
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.3125 0.8899
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Schistosoma mansoni hypothetical protein 0.0017 0.0226 0.0226
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.026 0.0722
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.009 0.0248
Brugia malayi steroid hormone receptor 0.0018 0.026 0.0722
Brugia malayi Cytochrome P450 family protein 0.002 0.0322 0.0893
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.002 0.0319 0.0319
Onchocerca volvulus 0.0024 0.0459 0.1182
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.002 0.0319 0.0319
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0672 0.5405
Echinococcus multilocularis GPCR, family 2 0.0017 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.026 0.026
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0227 0.1573
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0319 0.0319
Mycobacterium ulcerans hypothetical protein 0.0024 0.0459 0.3073
Schistosoma mansoni glycogen phosphorylase 0.0125 0.3607 0.3607
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.002 0.0319 0.0319
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1715 0.1715
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0018 0.0269 0.0269
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.002 0.0319 0.0319
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0227 0.1573
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.002 0.0319 0.0319
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.026 0.026
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0827 0.2293
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0296 0.082
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.349 0.349
Trypanosoma brucei trypanothione reductase 0.0048 0.1206 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Entamoeba histolytica glycogenphosphorylase, putative 0.0054 0.1394 0.3801
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.009 0.0248
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.026 0.026
Trichomonas vaginalis glycogen phosphorylase, putative 0.0125 0.3607 1
Schistosoma mansoni thyroid hormone receptor 0.0018 0.026 0.026
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0459 0.357
Brugia malayi Cation transporter family protein 0.002 0.0319 0.0884
Trichomonas vaginalis ran, putative 0.0023 0.0418 0.0564
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.002 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.026 0.0722
Echinococcus granulosus glycogen phosphorylase 0.0125 0.3607 0.3607
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0322 0.2057
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0011 0.0037 0.0103
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.033 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0418 0.3214
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0296 0.0202
Schistosoma mansoni neurotransmitter gated ion channel 0.0011 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Schistosoma mansoni hypothetical protein 0.0172 0.5076 0.5076
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.3125 0.8899
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1715 0.1715
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.3506 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0672 0.0672
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0296 0.0697
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0024 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.049 0.3835
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0227 0.1354
Echinococcus multilocularis glycogen phosphorylase 0.0125 0.3607 0.3607
Schistosoma mansoni thyroid hormone receptor 0.0018 0.026 0.026
Plasmodium falciparum importin beta, putative 0.0031 0.0672 0.4547
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0296 0.0202
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Brugia malayi RNA binding protein 0.0064 0.1715 0.4754
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0053 0.1345 0.1345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1157 0.1157
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.002 0.0319 0.0319
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0459 0.1273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.026 0.026
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.026 0.026
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0459 0.357
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0269 0.1666
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1157 0.3208
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.002 0.0319 0.0884
Echinococcus multilocularis nAChR subunit 0.0011 0.0037 0.0037
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.002 0.0319 0.0319
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0296 0.0725
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.3125 0.8899
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.026 0.026
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.026 0.0722
Onchocerca volvulus Putative nachr subunit 0.002 0.0319 0.0789
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.026 0.0722
Onchocerca volvulus 0.002 0.0319 0.0789
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.002 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0018 0.0269 0.0269
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.002 0.0319 0.0319
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0459 0.1182
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0227 0.1573
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0037 0.0103
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0322 0.0322
Schistosoma mansoni cytochrome P450 0.0011 0.0045 0.0045
Loa Loa (eye worm) CYP4Cod1 0.002 0.0322 0.0322
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.026 0.026
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0418 0.0418
Echinococcus granulosus FTZ F1 alpha 0.0018 0.026 0.026
Giardia lamblia Glycogen phosphorylase 0.0125 0.3607 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1206 0.1206
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0459 0.3073
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0459 0.3073
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0319 0.0884
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0239 0.0561
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1157 0.1157
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0227 0.1573
Entamoeba histolytica glycogen phosphorylase, putative 0.0125 0.3607 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.002 0.0319 0.0884
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.3506 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0459 0.1198
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0296 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1715 0.1715
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1715 0.1715
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0459 0.3073
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0227 0.1573
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.026 0.0722
Loa Loa (eye worm) glycogen phosphorylase 0.0125 0.3607 0.3607
Loa Loa (eye worm) hypothetical protein 0.0018 0.0269 0.0269
Schistosoma mansoni hypothetical protein 0.0017 0.0226 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.026 0.0722
Loa Loa (eye worm) hypothetical protein 0.0017 0.0226 0.0226
Echinococcus granulosus glycine receptor subunit beta 0.002 0.0319 0.0319
Toxoplasma gondii exonuclease III APE 0.0019 0.0296 0.2161
Loa Loa (eye worm) hypothetical protein 0.0018 0.0269 0.0269
Schistosoma mansoni nAChR subunit 0.002 0.0319 0.0319
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0226 0.0226
Entamoeba histolytica Ran family GTPase 0.0023 0.0418 0.1066
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0227 0.1573
Onchocerca volvulus 0.002 0.0319 0.0789
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0227 0.0227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.026 0.026
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Loa Loa (eye worm) hypothetical protein 0.0011 0.0037 0.0037
Plasmodium falciparum thioredoxin reductase 0.0048 0.1206 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0269 0.0125
Trypanosoma brucei cytochrome P450, putative 0.002 0.0322 0.2389
Mycobacterium tuberculosis Probable reductase 0.011 0.3125 0.8899
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Echinococcus multilocularis geminin 0.0172 0.5076 0.5076
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Echinococcus multilocularis 0.0011 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.026 0.0722
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.026 0.026
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0227 0.063
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0045 0.0045
Onchocerca volvulus 0.002 0.0319 0.0789
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.026 0.0722
Brugia malayi Importin beta-1 subunit 0.0031 0.0672 0.1864
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0037 0.0103
Plasmodium falciparum glutathione reductase 0.0048 0.1206 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0459 0.1198
Brugia malayi Cytochrome P450 family protein 0.0011 0.0045 0.0124
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0319 0.0319
Brugia malayi ecdysteroid receptor 0.0018 0.026 0.0722
Echinococcus granulosus GPCR family 2 0.0017 0.0226 0.0226
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.049 0.0777
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.026 0.026
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1715 0.1715
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0418 0.3214
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0322 0.2389
Loa Loa (eye worm) hypothetical protein 0.0018 0.026 0.026
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1715 0.1715
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.026 0.0722
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0226 0.0627
Onchocerca volvulus 0.0018 0.026 0.0625
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.002 0.0319 0.0319
Schistosoma mansoni ap endonuclease 0.0019 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.002 0.0319 0.0319
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0296 1
Brugia malayi nuclear hormone receptor 0.0018 0.026 0.0722
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0011 0.0037 0.0103
Loa Loa (eye worm) LGC-31 protein 0.002 0.0319 0.0319
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0227 0.1573
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0319 0.0319

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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