Detailed information for compound 1417264

Basic information

Technical information
  • TDR Targets ID: 1417264
  • Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-di hydro-1H-imidazole
  • MW: 261.171 | Formula: C10H10Cl2N2S
  • H donors: 1 H acceptors: 0 LogP: 2.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)CSC1=NCCN1
  • InChi: 1S/C10H10Cl2N2S/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)
  • InChiKey: BARIUPBFDQHVBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3,4-dichlorophenyl)methylthio]-4,5-dihydro-1H-imidazole
  • 2-[(3,4-dichlorobenzyl)thio]-4,5-dihydro-1H-imidazole
  • NCIStruc2_000533
  • NCI23478
  • NCIStruc1_000448
  • NCI60_001897
  • ZINC01602665
  • 3,4-dichlorobenzyl 4,5-dihydro-1H-imidazol-2-yl sulfide
  • NCGC00013296
  • NSC-23478

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi AMP-binding enzyme family protein 0.0067 0.0025 0.0004
Echinococcus multilocularis neuroglian 0.0125 0.0205 0.0213
Schistosoma mansoni glutaminase 0.3278 1 1
Echinococcus granulosus segment polarity protein dishevelled 0.0077 0.0054 0.0056
Schistosoma mansoni hypothetical protein 0.065 0.1836 0.1836
Mycobacterium ulcerans glutaminase 0.3278 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.3163 0.9641 1
Schistosoma mansoni dep domain containing protein 0.0077 0.0054 0.0054
Brugia malayi hypothetical protein 0.0197 0.0429 0.0409
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Echinococcus multilocularis geminin 0.0348 0.0898 0.0932
Echinococcus granulosus segment polarity protein dishevelled 0.0077 0.0054 0.0056
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0093 0.0104 0.0108
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0304 0.0762 0.0791
Schistosoma mansoni UDP-glucose 4-epimerase 0.0103 0.0137 0.0137
Onchocerca volvulus 0.0395 0.1043 0.1031
Loa Loa (eye worm) hypothetical protein 0.1924 0.5794 0.5771
Loa Loa (eye worm) glutaminase 2 0.3278 1 1
Loa Loa (eye worm) hypothetical protein 0.1405 0.418 0.4148
Schistosoma mansoni hypothetical protein 0.1405 0.418 0.418
Loa Loa (eye worm) TK protein kinase 0.1973 0.5945 0.5923
Schistosoma mansoni serine/threonine protein kinase 0.3163 0.9641 0.9641
Loa Loa (eye worm) glutaminase 0.3278 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2055 0.6199 0.6179
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0211 0.0473 0.222
Echinococcus granulosus tar DNA binding protein 0.0543 0.1503 0.1559
Echinococcus granulosus regulator of G protein signaling 7 0.0077 0.0054 0.0056
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0218 0.0494 0.5379
Loa Loa (eye worm) hypothetical protein 0.0366 0.0955 0.0905
Toxoplasma gondii UDP-glucose 4-epimerase 0.0103 0.0137 0.0711
Loa Loa (eye worm) hypothetical protein 0.0197 0.0429 0.0376
Brugia malayi Calcitonin receptor-like protein seb-1 0.2055 0.6199 0.6192
Brugia malayi hypothetical protein 0.0077 0.0054 0.0034
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0103 0.0137 0.0083
Schistosoma mansoni dishevelled 0.0077 0.0054 0.0054
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0217 0.0965
Mycobacterium ulcerans polyketide synthase Pks9 0.0144 0.0264 0.024
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0093 0.0104 0.0108
Loa Loa (eye worm) hypothetical protein 0.0122 0.0196 0.0142
Brugia malayi isocitrate dehydrogenase 0.0339 0.087 0.0851
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0182 0.0381 0.4071
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0339 0.087 0.0902
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0069 0.0029 0.0043
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0077 0.0054 0.0034
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0232 0.0536 0.5866
Schistosoma mansoni ephrin receptor 0.0093 0.0104 0.0104
Giardia lamblia Kinase, PLK 0.3163 0.9641 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0103 0.0137 0.0117
Trypanosoma cruzi PAB1-binding protein , putative 0.0679 0.1925 0.1997
Schistosoma mansoni hypothetical protein 0.065 0.1836 0.1836
Loa Loa (eye worm) latrophilin receptor protein 2 0.065 0.1836 0.1791
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0339 0.087 0.0902
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0218 0.0494 0.2322
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.0177 0.1711
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0722 0.206 0.204
Mycobacterium tuberculosis Probable thioesterase TesA 0.0182 0.0381 0.1768
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0075 0.0049 0.0141
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.065 0.1836 0.1904
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.1557 0.4652 0.4796
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0232 0.0536 0.2528
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Brugia malayi Latrophilin receptor protein 2 0.065 0.1836 0.1819
Trichomonas vaginalis CAMK family protein kinase 0.1566 0.468 0.4669
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.065 0.1836 0.1904
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0176 0.0362 0.0338
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2055 0.6199 0.6192
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0177 0.0768
Echinococcus granulosus roundabout 2 0.0169 0.0341 0.0354
Loa Loa (eye worm) hypothetical protein 0.0351 0.0907 0.0857
Schistosoma mansoni dishevelled 0.0077 0.0054 0.0054
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0177 0.0768
Echinococcus multilocularis regulator of G protein signaling 7 0.0077 0.0054 0.0056
Echinococcus granulosus tyrosine protein kinase 0.1973 0.5945 0.6167
Schistosoma mansoni hypothetical protein 0.0348 0.0898 0.0898
Mycobacterium ulcerans polyketide synthase 0.0232 0.0536 0.0513
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0144 0.0264 0.024
Brugia malayi MH2 domain containing protein 0.0245 0.0579 0.0559
Trypanosoma cruzi polo-like protein kinase, putative 0.3163 0.9641 1
Schistosoma mansoni kinase 0.1607 0.4809 0.4809
Schistosoma mansoni hypothetical protein 0.0351 0.0907 0.0907
Echinococcus multilocularis roundabout 2 0.0169 0.0341 0.0354
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0232 0.0536 0.5866
Schistosoma mansoni regulator of G protein signaling 0.0077 0.0054 0.0054
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0326 0.0829 0.3965
Loa Loa (eye worm) hypothetical protein 0.065 0.1836 0.1791
Brugia malayi N-terminal motif family protein 0.1557 0.4652 0.4641
Brugia malayi DIX domain containing protein 0.0077 0.0054 0.0034
Mycobacterium ulcerans Type I modular polyketide synthase 0.0218 0.0494 0.047
Schistosoma mansoni hypothetical protein 0.0351 0.0907 0.0907
Brugia malayi RNA binding protein 0.0543 0.1503 0.1486
Trypanosoma brucei beta lactamase 0.0347 0.0893 0.0927
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0177 0.0768
Loa Loa (eye worm) hypothetical protein 0.0169 0.0341 0.0289
Brugia malayi hypothetical protein 0.0679 0.1925 0.1908
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.011 0.0159 0.0825
Entamoeba histolytica serine/threonine protein kinase, putative 0.3163 0.9641 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Echinococcus granulosus Immunoglobulin 0.0125 0.0205 0.0213
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.3163 0.9641 0.9639
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0103 0.0137 0.0142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.065 0.1836 0.1819
Plasmodium falciparum ataxin-2 like protein, putative 0.0679 0.1925 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0347 0.0893 0.428
Toxoplasma gondii type I fatty acid synthase, putative 0.0232 0.0536 0.2785
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0077 0.0054 0.0034
Echinococcus granulosus UDP glucose 4 epimerase 0.0103 0.0137 0.0142
Brugia malayi Protein kinase domain containing protein 0.1973 0.5945 0.5937
Loa Loa (eye worm) RNA binding protein 0.0543 0.1503 0.1457
Loa Loa (eye worm) hypothetical protein 0.0351 0.0907 0.0857
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0103 0.0137 0.0117
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0339 0.087 0.452
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0347 0.0893 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0217 0.0965
Schistosoma mansoni tar DNA-binding protein 0.0543 0.1503 0.1503
Loa Loa (eye worm) hypothetical protein 0.2579 0.7828 0.7816
Brugia malayi hypothetical protein 0.0438 0.1178 0.116
Loa Loa (eye worm) hypothetical protein 0.0679 0.1925 0.1881
Echinococcus granulosus neuroglian 0.0125 0.0205 0.0213
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0232 0.0536 0.0513
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0218 0.0494 0.0474
Schistosoma mansoni cell adhesion molecule 0.0169 0.0341 0.0341
Echinococcus multilocularis segment polarity protein dishevelled 0.0077 0.0054 0.0056
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0103 0.0137 0.0142
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0125 0.0205 0.0205
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0232 0.0536 0.0513
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0218 0.0494 0.2322
Echinococcus multilocularis tar DNA binding protein 0.0543 0.1503 0.1559
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0339 0.087 0.4165
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Onchocerca volvulus 0.0351 0.0907 0.0889
Onchocerca volvulus Fatty acid synthase homolog 0.0393 0.1038 0.1026
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0088 0.009 0.0343
Loa Loa (eye worm) TAR-binding protein 0.0543 0.1503 0.1457
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0339 0.087 0.0902
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0218 0.0494 0.2322
Echinococcus multilocularis Immunoglobulin 0.0125 0.0205 0.0213
Mycobacterium ulcerans thioesterase TesA 0.0182 0.0381 0.0357
Schistosoma mansoni methyltransferase-related 0.0066 0.0021 0.0021
Leishmania major hypothetical protein, conserved 0.0066 0.0021 0.0021
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0177 0.0768
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0339 0.087 0.0902
Schistosoma mansoni hypothetical protein 0.065 0.1836 0.1836
Schistosoma mansoni hypothetical protein 0.0348 0.0898 0.0898
Brugia malayi Fibronectin type III domain containing protein 0.0169 0.0341 0.0322
Echinococcus multilocularis segment polarity protein dishevelled 0.0077 0.0054 0.0056
Onchocerca volvulus 0.038 0.0996 0.0982
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0413 0.1101 0.1082
Mycobacterium ulcerans thioesterase 0.0182 0.0381 0.0357
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.065 0.1836 0.1904
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0304 0.0762 0.0791
Leishmania major hypothetical protein, conserved 0.0679 0.1925 0.1997
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.3163 0.9641 1
Mycobacterium ulcerans fatty acid synthase Fas 0.0069 0.0029 0.0005
Brugia malayi serine/threonine-protein kinase plk-2 0.3163 0.9641 0.964
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0103 0.0137 0.0142
Trypanosoma brucei polo-like protein kinase 0.3163 0.9641 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0125 0.0205 0.0213
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.0579 0.0527
Loa Loa (eye worm) hypothetical protein 0.0351 0.0907 0.0857
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0067 0.0025 0.0021
Brugia malayi Protein kinase domain containing protein 0.298 0.9073 0.9071
Toxoplasma gondii type I fatty acid synthase, putative 0.0155 0.0299 0.1552
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0204 0.045 0.0397
Onchocerca volvulus 0.0204 0.045 0.0412
Plasmodium falciparum ataxin-2 like protein, putative 0.0679 0.1925 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0125 0.0205 0.0213
Brugia malayi Immunoglobulin I-set domain containing protein 0.0169 0.0341 0.0322
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0217 0.2177
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Brugia malayi hypothetical protein 0.0169 0.0341 0.0322
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0218 0.0494 0.047
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0326 0.0829 0.3965
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.0579 0.0527
Echinococcus multilocularis Immunoglobulin 0.0125 0.0205 0.0213
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.065 0.1836 0.1904
Onchocerca volvulus Serine\/threonine kinase homolog 0.3163 0.9641 1
Schistosoma mansoni hypothetical protein 0.065 0.1836 0.1836
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0722 0.206 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0107 0.015 0.0156
Echinococcus granulosus serine:threonine protein kinase PLK1 0.3163 0.9641 1
Toxoplasma gondii hypothetical protein 0.0077 0.0054 0.0283
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0177 0.0768
Trichomonas vaginalis glutaminase, putative 0.3278 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0218 0.0494 0.047
Schistosoma mansoni z-protein (S1r protein) 0.0077 0.0054 0.0054
Brugia malayi RNA recognition motif domain containing protein 0.0543 0.1503 0.1486
Loa Loa (eye worm) isocitrate dehydrogenase 0.0339 0.087 0.082
Leishmania major udp-glc 4-epimerase, putative 0.0107 0.015 0.0156
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0339 0.087 0.0902
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0142 0.0256 0.133
Schistosoma mansoni tar DNA-binding protein 0.0543 0.1503 0.1503
Brugia malayi latrophilin 2 splice variant baaae 0.1405 0.418 0.4168
Mycobacterium ulcerans polyketide synthase Pks13 0.0326 0.0829 0.0806
Giardia lamblia UDP-glucose 4-epimerase 0.0107 0.015 0.0135
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0125 0.0205 0.0205
Loa Loa (eye worm) fatty acid synthase 0.0215 0.0485 0.0433
Toxoplasma gondii isocitrate dehydrogenase 0.0339 0.087 0.452
Brugia malayi UDP galactose 4'-epimerase 0.0103 0.0137 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0543 0.1503 0.1503
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0103 0.0137 0.0117
Echinococcus multilocularis GPCR, family 2 0.065 0.1836 0.1904
Brugia malayi Isocitrate dehydrogenase 0.0339 0.087 0.0851
Brugia malayi TAR-binding protein 0.0543 0.1503 0.1486
Echinococcus granulosus regulator of G protein signaling 7 0.0077 0.0054 0.0056
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0178 0.0371 0.1716
Trypanosoma brucei PAB1-binding protein , putative 0.0679 0.1925 0.1997
Loa Loa (eye worm) hypothetical protein 0.2055 0.6199 0.6179
Schistosoma mansoni vesicular amine transporter 0.0125 0.0205 0.0205
Brugia malayi hypoxia-induced factor 1 0.0182 0.0381 0.0361
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0339 0.087 0.087
Plasmodium vivax ataxin-2 like protein, putative 0.0679 0.1925 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0339 0.087 0.0902
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0211 0.0473 0.222
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0176 0.0362 0.0338
Echinococcus multilocularis regulator of G protein signaling 7 0.0077 0.0054 0.0056
Mycobacterium ulcerans lipoprotein LpqF 0.0347 0.0893 0.0871
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0077 0.0054 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0543 0.1503 0.1503
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0124 0.0202 0.0888
Mycobacterium leprae Probable polyketide synthase Pks1 0.0232 0.0536 0.5866
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0232 0.0536 0.2528
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0144 0.0264 0.2722
Schistosoma mansoni tar DNA-binding protein 0.0543 0.1503 0.1503
Brugia malayi AMP-binding enzyme family protein 0.0204 0.045 0.043
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0232 0.0536 0.2528
Brugia malayi hypothetical protein 0.0077 0.0054 0.0034
Echinococcus granulosus geminin 0.0348 0.0898 0.0932
Echinococcus multilocularis UDP glucose 4 epimerase 0.0103 0.0137 0.0142
Brugia malayi hypothetical protein 0.0351 0.0907 0.0888
Echinococcus granulosus defective proboscis extension response 0.0125 0.0205 0.0213
Toxoplasma gondii LsmAD domain-containing protein 0.0679 0.1925 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0217 0.0965
Mycobacterium tuberculosis Probable reductase 0.0116 0.0177 0.0768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0543 0.1503 0.1457
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Mycobacterium ulcerans Type I modular polyketide synthase 0.0218 0.0494 0.047
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0339 0.087 0.0902
Loa Loa (eye worm) hypothetical protein 0.1557 0.4652 0.4623
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0381 0.0329
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0174 0.0357 0.0304
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.3163 0.9641 1
Mycobacterium leprae Polyketide synthase Pks13 0.0326 0.0829 0.9257
Schistosoma mansoni nephrin 0.0169 0.0341 0.0341
Mycobacterium ulcerans polyketide synthase 0.0218 0.0494 0.047
Loa Loa (eye worm) acyl carrier protein 0.01 0.0128 0.0074
Brugia malayi regulator of G-protein signaling egl-10 0.0077 0.0054 0.0034
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Schistosoma mansoni hypothetical protein 0.0304 0.0762 0.0762
Loa Loa (eye worm) hypothetical protein 0.0169 0.0341 0.0289
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0339 0.087 0.0902
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0204 0.045 0.2103
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0218 0.0494 0.5379
Echinococcus multilocularis isocitrate dehydrogenase 0.0339 0.087 0.0902
Trichomonas vaginalis CAMK family protein kinase 0.1566 0.468 0.4669
Toxoplasma gondii isocitrate dehydrogenase 0.0339 0.087 0.452
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0157 0.0303 0.1386
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0339 0.087 0.0902
Trypanosoma cruzi PAB1-binding protein , putative 0.0679 0.1925 0.1997
Brugia malayi Immunoglobulin I-set domain containing protein 0.0174 0.0357 0.0337
Loa Loa (eye worm) hypothetical protein 0.0125 0.0205 0.0152
Loa Loa (eye worm) hypothetical protein 0.0169 0.0341 0.0289
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0077 0.0054 0.0056
Echinococcus granulosus MAM 0.0351 0.0907 0.094
Loa Loa (eye worm) TK/ALK protein kinase 0.2979 0.907 0.9065
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Echinococcus multilocularis MAM 0.0351 0.0907 0.094
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0339 0.087 0.0902
Echinococcus multilocularis tyrosine protein kinase 0.1973 0.5945 0.6167
Echinococcus granulosus Pleckstrin G protein interacting region 0.0077 0.0054 0.0056
Echinococcus granulosus GPCR family 2 0.065 0.1836 0.1904
Trichomonas vaginalis CAMK family protein kinase 0.3163 0.9641 0.964
Echinococcus granulosus twitchin 0.0135 0.0237 0.0246
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0176 0.0362 0.3846

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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