Detailed information for compound 1148071

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.328 | Formula: C18H19BrF3N3S
  • H donors: 1 H acceptors: 0 LogP: 5.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)N(C(=N)Nc1cc(SC)cc(c1Br)C(F)(F)F)C
  • InChi: 1S/C18H19BrF3N3S/c1-4-11-6-5-7-12(8-11)25(2)17(23)24-15-10-13(26-3)9-14(16(15)19)18(20,21)22/h5-10H,4H2,1-3H3,(H2,23,24)
  • InChiKey: HNEFAYIFNSJNPC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1212 0.149
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Trypanosoma brucei hypothetical protein, conserved 0.007 0.1212 0.2889
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0901 0.3106
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0219 0.0404
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.202 0.1626
Trichomonas vaginalis ran, putative 0.0023 0.0122 0.0032
Loa Loa (eye worm) hypothetical protein 0.0094 0.1785 0.2275
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0177 0.0135
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.023 0.0733
Mycobacterium leprae conserved hypothetical protein 0.007 0.1212 0.4643
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.2292 0.1912
Brugia malayi Trypsin family protein 0.0094 0.1785 0.3293
Plasmodium falciparum importin beta, putative 0.0031 0.0316 0.1318
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0316 0.0515
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Leishmania major importin beta-1 subunit, putative 0.0025 0.0177 0.0146
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.1212 0.149
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0.0219 0.0256
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Schistosoma mansoni hypothetical protein 0.0169 0.3545 0.4682
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1212 0.2081
Brugia malayi glutathione reductase 0.0046 0.065 0.1199
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0901 0.1066
Schistosoma mansoni hypothetical protein 0.0335 0.7434 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.2071 0.5167
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0184 0.3893 0.7125
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0219 0.0404
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.2657 0.3466
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0184 0.3893 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0068 0.1168 0.2
Leishmania major T-complex protein 1, beta subunit, putative 0.0027 0.0219 0.0256
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.3413 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.202 0.1626
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0177 0.0135
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.2292 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.065 0.3583
Trichomonas vaginalis chaperonin, putative 0.0027 0.0219 0.0214
Loa Loa (eye worm) hypothetical protein 0.0184 0.3893 0.5158
Entamoeba histolytica CAAX prenyl protease, putative 0.0068 0.1168 0.2775
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0184 0.3893 1
Trypanosoma brucei polo-like protein kinase 0.0106 0.2071 0.5167
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.202 0.1626
Mycobacterium tuberculosis Probable reductase 0.0104 0.202 0.1626
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1212 0.149
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.2071 0.3902
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.2071 0.5167
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.2071 0.5167
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0.0219 0.0214
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.5421 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.1212 0.0778
Brugia malayi beta-lactamase family protein 0.007 0.1212 0.2235
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.1212 0.0778
Plasmodium vivax protease, putative 0.0038 0.0471 0.2365
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0901 0.0452
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0275 0.1037
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0219 0.0132
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0.0219 0.0256
Entamoeba histolytica CAAX amino terminal protease family 0.0038 0.0471 0.0924
Mycobacterium ulcerans lipase LipD 0.007 0.1212 0.6587
Plasmodium falciparum thioredoxin reductase 0.0046 0.065 0.3583
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1212 0.2889
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0316 0.0515
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0184 0.3893 0.5158
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0027 0.0219 0.0132
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0813 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0813 0.1332
Brugia malayi Importin beta-1 subunit 0.0031 0.0316 0.0584
Loa Loa (eye worm) hypothetical protein 0.0028 0.023 0.0148
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0122 0.0225
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Schistosoma mansoni hypothetical protein 0.0169 0.3545 0.4682
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.1212 0.149
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.023 0.0733
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0184 0.3893 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.065 0.3583
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1596 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0901 0.0452
Echinococcus granulosus CAAX prenyl protease 2 0.0184 0.3893 0.5158
Brugia malayi RNA, U transporter 1 0.0089 0.1673 0.3085
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Plasmodium vivax hypothetical protein, conserved 0.007 0.1212 0.7394
Trypanosoma brucei trypanothione reductase 0.0046 0.065 0.14
Echinococcus multilocularis geminin 0.0169 0.3545 0.4682
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.1596 0.2015
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0901 0.1066
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.2071 0.5167
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.2292 0.1912
Echinococcus granulosus snurportin 1 0.0335 0.7434 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.1596 0.2015
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0184 0.3893 0.5158
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.2292 0.1912
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Entamoeba histolytica hypothetical protein 0.0025 0.0177 0.0146
Giardia lamblia Kinase, PLK 0.0106 0.2071 0.5167
Echinococcus granulosus importin subunit beta 1 0.0031 0.0316 0.0266
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.5421 0.7248
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Mycobacterium tuberculosis Conserved protein 0.007 0.1212 0.0778
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Entamoeba histolytica CAAX prenyl protease family 0.0184 0.3893 1
Leishmania major trypanothione reductase 0.0046 0.065 0.14
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0027 0.0219 0.0132
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.2071 0.2665
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.065 0.0722
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0219 0.0132
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0335 0.7434 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Echinococcus multilocularis snurportin 1 0.0335 0.7434 1
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0068 0.1168 0.2775
Loa Loa (eye worm) beta-lactamase 0.007 0.1212 0.149
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.023 0.0286
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1596 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.065 0.0188
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0316 0.1318
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.2071 0.2665
Leishmania major hypothetical protein, conserved 0.0028 0.023 0.0286
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1212 0.2081
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1212 0.2889
Mycobacterium tuberculosis Probable hydrolase 0.007 0.1212 0.0778
Trypanosoma brucei CAAX amino terminal protease, putative 0.0184 0.3893 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.1596 0.6546
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3619 0.661
Loa Loa (eye worm) hypothetical protein 0.0094 0.1785 0.2275
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.023 0.0286
Toxoplasma gondii hypothetical protein 0.0038 0.0471 0.2365
Toxoplasma gondii CAAX amino terminal protease family protein 0.0038 0.0471 0.2365
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0068 0.1168 0.2775
Brugia malayi hypothetical protein 0.0028 0.023 0.0425
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0316 0.0266
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1212 0.2081
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0068 0.1168 0.2
Plasmodium falciparum protease, putative 0.0038 0.0471 0.2365
Toxoplasma gondii ABC1 family protein 0.007 0.1212 0.7394
Brugia malayi Peptidase family M48 containing protein 0.0068 0.1168 0.2155
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.1212 0.149
Loa Loa (eye worm) peptidase family M48 containing protein 0.0068 0.1168 0.1431
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.065 0.14
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3619 0.661
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0068 0.1168 0.1431
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0094 0.1785 0.2275
Toxoplasma gondii t-complex protein beta subunit 0.0027 0.0219 0.0656
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 0.5
Treponema pallidum hypothetical protein 0.0038 0.0471 0.1482
Toxoplasma gondii hypothetical protein 0.003 0.0275 0.1037
Mycobacterium ulcerans hypothetical protein 0.007 0.1212 0.6587
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0068 0.1168 0.2775
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.1212 0.0778
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Mycobacterium leprae Probable lipase LipE 0.007 0.1212 0.4643
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.1212 0.0778
Giardia lamblia Hypothetical protein 0.0184 0.3893 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.1212 0.2235
Toxoplasma gondii thioredoxin reductase 0.0046 0.065 0.3583
Schistosoma mansoni importin beta-1 0.0031 0.0316 0.0266
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0177 0.0135
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.1596 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.2657 0.3466
Brugia malayi Thioredoxin reductase 0.0046 0.065 0.1199
Loa Loa (eye worm) hypothetical protein 0.0086 0.1596 0.2015
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1212 0.2081
Brugia malayi beta-lactamase 0.007 0.1212 0.2235
Loa Loa (eye worm) hypothetical protein 0.007 0.1212 0.149
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0068 0.1168 0.2775
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0027 0.0219 0.0656
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0219 0.0132
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.1596 0.2015
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.023 0.0286
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.2071 0.3819
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.202 0.8651
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.2071 0.2665
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0275 0.1037
Plasmodium falciparum T-complex protein 1 subunit beta 0.0027 0.0219 0.0656
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.1212 0.6587
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5421 1
Echinococcus multilocularis CAAX prenyl protease 2 0.0184 0.3893 0.5158
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0177 0.0146
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.023 0.0733
Mycobacterium tuberculosis Conserved protein 0.007 0.1212 0.0778
Toxoplasma gondii hypothetical protein 0.0038 0.0471 0.2365
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.2071 0.2665
Toxoplasma gondii CAAX metallo endopeptidase 0.0068 0.1168 0.7102
Loa Loa (eye worm) T-complex protein 1 0.0027 0.0219 0.0132
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0027 0.0219 0.0256
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.065 0.0722
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1596 1
Echinococcus granulosus caax prenyl protease 1 0.0068 0.1168 0.1431
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1212 0.2081
Onchocerca volvulus 0.0088 0.1642 0.1954
Brugia malayi MH2 domain containing protein 0.0131 0.2657 0.49
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0094 0.1785 0.2275
Loa Loa (eye worm) hypothetical protein 0.0031 0.0316 0.0266
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.1212 0.0778
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.1212 0.0778
Brugia malayi beta-lactamase family protein 0.007 0.1212 0.2235
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.202 0.1626
Onchocerca volvulus 0.0094 0.1785 0.2607
Mycobacterium tuberculosis Conserved protein 0.007 0.1212 0.0778
Mycobacterium ulcerans beta-lactamase 0.007 0.1212 0.6587
Entamoeba histolytica CAAX amino terminal protease family 0.0038 0.0471 0.0924
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0027 0.0219 0.0256
Brugia malayi Probable ClpP-like protease 0.0086 0.1596 0.2943
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3413 0.6222
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.065 0.0722
Schistosoma mansoni kinase 0.0054 0.0846 0.099
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.1212 0.6587
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Brugia malayi CAAX amino terminal protease family protein 0.0184 0.3893 0.7181
Leishmania major hypothetical protein, conserved 0.007 0.1212 0.2889
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.023 0.0733
Echinococcus granulosus geminin 0.0169 0.3545 0.4682
Loa Loa (eye worm) glutathione reductase 0.0046 0.065 0.0722
Plasmodium vivax importin-beta 2, putative 0.0031 0.0316 0.1318
Trichomonas vaginalis esterase, putative 0.007 0.1212 0.2081
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2071 0.3697
Echinococcus multilocularis caax prenyl protease 1 0.0068 0.1168 0.1431
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.202 0.1626
Plasmodium falciparum glutathione reductase 0.0046 0.065 0.3583

Activities

No activities found for this compound.

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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