Detailed information for compound 606769

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.454 | Formula: C22H26N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)OC(=O)CC
  • InChi: 1S/C22H26N2O2/c1-3-15-14-24-12-10-16(15)13-20(24)22(26-21(25)4-2)18-9-11-23-19-8-6-5-7-17(18)19/h3,5-9,11,15-16,20,22H,1,4,10,12-14H2,2H3/t15-,16-,20-,22+/m0/s1
  • InChiKey: HXIOQHAJPMQTTN-VPZAWKCMSA-N  


Substructure search Similarity search

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
Plasmodium falciparum thioredoxin reductase 0.0047 0.0781 1
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.04 0.0582
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0138 0.0195
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Schistosoma mansoni intermediate filament proteins 0.0056 0.0978 0.1417
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0945 0.6819
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0147 0.0746
Echinococcus multilocularis tumor protein p63 0.0363 0.7848 1
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0333
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0781 0.0883
Leishmania major trypanothione reductase 0.0047 0.0781 0.5503
Brugia malayi Cathepsin L-like precursor 0.0012 0.0004 0.0006
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0004 0.0006
Brugia malayi beta-lactamase family protein 0.0072 0.134 0.1949
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.2389 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0138 0.0606
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.134 0.1256
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.04 0.0576
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.134 0.1256
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0147 0.0066
Echinococcus multilocularis lamin 0.0056 0.0978 0.1137
Trypanosoma brucei trypanothione reductase 0.0047 0.0781 0.5503
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.2389 0.2315
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0096 0.069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Echinococcus granulosus lamin dm0 0.0056 0.0978 0.1241
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0147 0.1073
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0138 0.1001
Loa Loa (eye worm) hypothetical protein 0.0053 0.0921 0.1334
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0138 0.0606
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0334 0.042
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0334 0.0306
Brugia malayi cathepsin L-like precursor 0.0012 0.0004 0.0006
Loa Loa (eye worm) hypothetical protein 0.0026 0.0311 0.0447
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.134 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.134 1
Onchocerca volvulus 0.0072 0.134 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0138 0.0195
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.134 1
Plasmodium vivax vivapain-2 0.0018 0.0138 0.0333
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2123 0.2046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0138 0.0195
Echinococcus multilocularis musashi 0.0056 0.0978 0.1137
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0921 0.1334
Loa Loa (eye worm) ctsf protein 0.0018 0.0138 0.0195
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.134 0.1256
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.134 0.1605
Echinococcus granulosus cathepsin l1 0.0018 0.0138 0.017
Onchocerca volvulus 0.0018 0.0138 0.1001
Echinococcus multilocularis cysteine protease 0.0018 0.0138 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.2617 0.3802
Loa Loa (eye worm) hypothetical protein 0.0018 0.0138 0.0195
Onchocerca volvulus 0.0018 0.0138 0.1001
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.134 0.1256
Echinococcus granulosus intermediate filament protein 0.0056 0.0978 0.1241
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.1141 0.8395
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0138 0.0054
Toxoplasma gondii thioredoxin reductase 0.0047 0.0781 0.5503
Schistosoma mansoni tar DNA-binding protein 0.032 0.6876 1
Mycobacterium ulcerans lipase LipD 0.0072 0.134 1
Brugia malayi Cathepsin L-like precursor 0.0012 0.0004 0.0006
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0138 0.0054
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.134 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0147 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0138 0.0054
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0096 0.0134
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0978 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0781 0.099
Loa Loa (eye worm) TAR-binding protein 0.032 0.6876 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.134 0.1256
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0333
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0138 0.0054
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.134 0.1949
Brugia malayi MH2 domain containing protein 0.0129 0.2617 0.3806
Brugia malayi RNA binding protein 0.032 0.6876 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.1274 0.947
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Plasmodium vivax glutathione reductase, putative 0.0047 0.0781 0.5503
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0147 0.0411
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0781 0.5503
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0781 0.113
Brugia malayi glutathione reductase 0.0047 0.0781 0.1136
Mycobacterium tuberculosis Probable reductase 0.0107 0.2123 0.2046
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Loa Loa (eye worm) hypothetical protein 0.0055 0.0955 0.1383
Brugia malayi intermediate filament protein 0.0056 0.0978 0.1422
Onchocerca volvulus 0.0018 0.0138 0.1001
Plasmodium vivax vivapain-2 0.0018 0.0138 0.0333
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0138 0.933
Loa Loa (eye worm) cysteine protease 0.0018 0.0138 0.0195
Toxoplasma gondii exonuclease III APE 0.0019 0.0147 0.0411
Onchocerca volvulus 0.0072 0.134 1
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0333
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.2123 0.7458
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0147 0.0411
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2123 0.2046
Loa Loa (eye worm) RNA binding protein 0.032 0.6876 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2123 0.2046
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0138 0.0606
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0096 0.069
Onchocerca volvulus 0.0018 0.0138 0.1001
Onchocerca volvulus 0.0056 0.0978 0.7285
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0138 0.017
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0147 0.0209
Brugia malayi TAR-binding protein 0.032 0.6876 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.134 0.1256
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0333
Trichomonas vaginalis esterase, putative 0.0072 0.134 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Entamoeba histolytica cysteine protease, putative 0.0018 0.0138 0.933
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0147 0.0214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.134 1
Schistosoma mansoni tar DNA-binding protein 0.032 0.6876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Schistosoma mansoni ap endonuclease 0.0019 0.0147 0.0209
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0781 0.5503
Plasmodium vivax hypothetical protein, conserved 0.0072 0.134 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0978 0.1417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Schistosoma mansoni lamin 0.0056 0.0978 0.1417
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0147 0.0411
Onchocerca volvulus 0.0018 0.0138 0.1001
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.134 0.1256
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.134 0.1256
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0138 0.0333
Echinococcus multilocularis lamin dm0 0.0056 0.0978 0.1137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0781 0.0691
Loa Loa (eye worm) fibroinase 0.0018 0.0138 0.0195
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0978 0.1417
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1274 0.947
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0147 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0147 0.0411
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0138 0.1001
Onchocerca volvulus 0.0053 0.0921 0.6862
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0138 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Mycobacterium ulcerans hypothetical protein 0.0072 0.134 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.134 1
Plasmodium falciparum glutathione reductase 0.0047 0.0781 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0147 0.1073
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0147 1
Schistosoma mansoni tar DNA-binding protein 0.032 0.6876 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.134 1
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0138 0.0333
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0138 0.017
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0147 0.0411
Brugia malayi beta-lactamase 0.0072 0.134 0.1949
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.134 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0138 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1274 0.947
Schistosoma mansoni lamin 0.0056 0.0978 0.1417
Mycobacterium ulcerans beta-lactamase 0.0072 0.134 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Brugia malayi beta-lactamase family protein 0.0072 0.134 0.1949
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0978 0.1417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1274 0.947
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0096 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.134 0.1944
Schistosoma mansoni tar DNA-binding protein 0.032 0.6876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0138 0.1001
Echinococcus granulosus tar DNA binding protein 0.032 0.6876 0.8761
Onchocerca volvulus 0.0056 0.0978 0.7285
Leishmania major cathepsin L-like protease 0.0069 0.1274 0.947
Loa Loa (eye worm) glutathione reductase 0.0047 0.0781 0.113
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.2389 0.2315
Schistosoma mansoni ap endonuclease 0.0019 0.0147 0.0209
Loa Loa (eye worm) hypothetical protein 0.0027 0.0334 0.048
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0333
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.032 0.6876 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.134 0.1944
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.134 0.1944
Echinococcus multilocularis tar DNA binding protein 0.032 0.6876 0.8747
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.134 0.1944
Toxoplasma gondii cathepsin CPL 0.0018 0.0138 0.0333
Onchocerca volvulus 0.0018 0.0138 0.1001
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2123 0.2046
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2123 0.2046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Mycobacterium tuberculosis Conserved protein 0.0072 0.134 0.1256
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0147 0.0183
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0138 0.933
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.134 0.1704
Brugia malayi Thioredoxin reductase 0.0047 0.0781 0.1136
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0138 0.1001
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0096 0.014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0147 0.0411
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0138 0.0195
Leishmania major hypothetical protein, conserved 0.0072 0.134 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0147 0.0052
Onchocerca volvulus 0.0072 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0311 0.0447
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0138 0.02
Brugia malayi RNA recognition motif domain containing protein 0.032 0.6876 1
Echinococcus granulosus lamin 0.0056 0.0978 0.1241
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.2617 0.3802
Echinococcus multilocularis cysteine protease 0.0018 0.0138 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0096 0.0118
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1274 0.947
Leishmania major cathepsin L-like protease 0.0069 0.1274 0.947
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.134 0.1256
Schistosoma mansoni tar DNA-binding protein 0.032 0.6876 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.2389 0.2315
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0138 0.1001
Echinococcus granulosus tumor protein p63 0.0363 0.7848 1
Loa Loa (eye worm) beta-lactamase 0.0072 0.134 0.1944
Onchocerca volvulus 0.0018 0.0138 0.1001
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0147 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.02
Toxoplasma gondii ABC1 family protein 0.0072 0.134 1
Leishmania major cathepsin L-like protease 0.0069 0.1274 0.947

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.1659 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.1659 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.364 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.364 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.01869 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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