Detailed information for compound 105857

Basic information

Technical information
  • TDR Targets ID: 105857
  • Name: (4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Bipheny l-4-Yl)(4-Bromophenyl)Methanone
  • MW: 420.342 | Formula: C24H22BrNO
  • H donors: 0 H acceptors: 1 LogP: 6.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C
  • InChi: 1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
  • InChiKey: YATCZCSDJCQNAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-bromophenyl)-[4-[4-[(methyl-prop-2-enylamino)methyl]phenyl]phenyl]methanone
  • (4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
  • [4-[4-[[allyl(methyl)amino]methyl]phenyl]phenyl]-(4-bromophenyl)methanone
  • [4-[4-[(allyl-methyl-amino)methyl]phenyl]phenyl]-(4-bromophenyl)methanone
  • [4-[4-[(allyl-methylamino)methyl]phenyl]phenyl]-(4-bromophenyl)methanone
  • (4-bromophenyl)-[4-[4-[(methyl-prop-2-enyl-amino)methyl]phenyl]phenyl]methanone
  • R01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lanosterol synthase (2,3-oxidosqualene-lanosterol cyclase) Starlite/ChEMBL References
Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC27009 / DSM 446 / 104-1A) (Bacillu Squalene-hopene cyclase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma brucei gambiense lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania major lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Candida albicans 2,3-oxidosqualene-lanosterol cyclase Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania infantum lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma congolense lanosterol synthase Get druggable targets OG5_127966 All targets in OG5_127966
Candida albicans 2,3-oxidosqualene-lanosterol cyclase Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania braziliensis lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma cruzi lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Trypanosoma cruzi lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania mexicana lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
Leishmania donovani lanosterol synthase, putative Get druggable targets OG5_127966 All targets in OG5_127966
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) 0.0063 0.0336 0.031
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0036 0.0019
Schistosoma mansoni caspase-7 (C14 family) 0.0091 0.0581 0.0556
Brugia malayi glutathione reductase 0.0029 0.0033 0.0034
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.187 0.1848
Mycobacterium tuberculosis Conserved protein 0.0063 0.0336 0.0994
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0063 0.0336 0.0676
Echinococcus granulosus tar DNA binding protein 0.0056 0.0271 0.0245
Plasmodium vivax metacaspase 1, putative 0.0034 0.0077 0.1466
Toxoplasma gondii HEAT repeat-containing protein 0.0051 0.0223 0.636
Mycobacterium tuberculosis Probable lipase LipE 0.0063 0.0336 0.0994
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0094 0.0607 0.3148
Echinococcus multilocularis microtubule associated protein 2 0.1144 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0037 0.0104 0.3725
Loa Loa (eye worm) thioredoxin reductase 0.0029 0.0033 0.0014
Echinococcus multilocularis caspase 0.0091 0.0581 0.0556
Loa Loa (eye worm) hypothetical protein 0.0094 0.0607 0.1269
Brugia malayi hypothetical protein 0.0235 0.187 1
Trypanosoma brucei metacaspase 0.0034 0.0077 0.0127
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0077 0.1466
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Trichomonas vaginalis conserved hypothetical protein 0.0152 0.1133 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0063 0.0336 0.0994
Schistosoma mansoni hypothetical protein 0.0032 0.0056 0.003
Onchocerca volvulus 0.0063 0.0336 0.9121
Mycobacterium tuberculosis Probable oxidoreductase 0.0074 0.0435 0.1288
Echinococcus granulosus thioredoxin glutathione reductase 0.003 0.0036 0.001
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.187 0.1848
Brugia malayi Latrophilin receptor protein 2 0.003 0.0036 0.0048
Plasmodium falciparum importin beta, putative 0.0051 0.0223 1
Echinococcus granulosus caspase 2 0.0066 0.0363 0.0337
Leishmania major importin beta-1 subunit, putative 0.0041 0.0138 0.0279
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Trichomonas vaginalis ran, putative 0.0037 0.0104 0.0697
Trypanosoma brucei trypanothione reductase 0.0029 0.0033 0.0016
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0037 0.0104 0.0194
Echinococcus granulosus caspase 3 0.0056 0.0275 0.0249
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0067 0.0369 0.1091
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0043 0.0153 0.0127
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0074 0.0435 0.1288
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0067 0.0369 0.8468
Schistosoma mansoni hypothetical protein 0.003 0.0036 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.0449 0.0423
Loa Loa (eye worm) RNA binding protein 0.0056 0.0271 0.0534
Mycobacterium ulcerans esterase/lipase LipP 0.0063 0.0336 1
Onchocerca volvulus 0.0063 0.0336 0.9121
Trichomonas vaginalis esterase, putative 0.0063 0.0336 0.2792
Trypanosoma cruzi metacaspase 5, putative 0.0034 0.0077 0.0127
Echinococcus multilocularis caspase 3 0.0056 0.0275 0.0249
Echinococcus granulosus GTP binding nuclear protein Ran 0.0037 0.0104 0.0077
Loa Loa (eye worm) TAR-binding protein 0.0056 0.0271 0.0534
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0091 0.0581 0.0556
Brugia malayi RNA, U transporter 1 0.0144 0.1057 0.559
Trichomonas vaginalis importin beta-1, putative 0.0041 0.0138 0.1003
Mycobacterium leprae conserved hypothetical protein 0.0063 0.0336 0.7713
Plasmodium falciparum metacaspase 1 0.0034 0.0077 0.2332
Schistosoma mansoni hypothetical protein 0.003 0.0036 0.0009
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0091 0.0581 0.0556
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Schistosoma mansoni hypothetical protein 0.003 0.0036 0.0009
Schistosoma mansoni hypothetical protein 0.0048 0.0199 0.0173
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0034 0.0077 0.0274
Mycobacterium tuberculosis Probable reductase 0.0067 0.0369 0.1091
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Brugia malayi Thioredoxin reductase 0.0029 0.0033 0.0034
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Trypanosoma brucei Metacaspase-4 0.0034 0.0077 0.0127
Brugia malayi beta-lactamase family protein 0.0063 0.0336 0.1676
Schistosoma mansoni importin beta-1 0.0051 0.0223 0.0197
Plasmodium vivax importin-beta 2, putative 0.0051 0.0223 0.6286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.0449 0.0423
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0037 0.0104 0.2342
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0037 0.0104 0.0418
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0037 0.0104 0.0194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0076 0.0449 0.0423
Loa Loa (eye worm) hypothetical protein 0.0064 0.0343 0.0691
Schistosoma mansoni ran 0.0037 0.0104 0.0077
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0034 0.0077 0.1637
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0271 0.0245
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0067 0.0369 0.1091
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0094 0.0607 0.1269
Trichomonas vaginalis D-aminoacylase, putative 0.0063 0.0336 0.2792
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0029 0.0027 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0041 0.0138 0.1003
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0336 0.0777
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0336 1
Schistosoma mansoni lipoxygenase 0.0043 0.0153 0.0127
Trichomonas vaginalis D-aminoacylase, putative 0.0063 0.0336 0.2792
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0271 0.0245
Mycobacterium leprae Probable lipase LipE 0.0063 0.0336 0.7713
Leishmania major hypothetical protein, conserved 0.0063 0.0336 0.0777
Trichomonas vaginalis D-aminoacylase, putative 0.0063 0.0336 0.2792
Toxoplasma gondii ABC1 family protein 0.0063 0.0336 1
Schistosoma mansoni hypothetical protein 0.054 0.46 0.4585
Echinococcus granulosus importin subunit beta 1 0.0051 0.0223 0.0197
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0063 0.0336 1
Echinococcus multilocularis caspase 8 0.0034 0.0077 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0076 0.0449 0.0423
Trypanosoma brucei hypothetical protein, conserved 0.0063 0.0336 0.0777
Echinococcus granulosus snurportin 1 0.054 0.46 0.4585
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0315 0.2586 0.7652
Echinococcus granulosus caspase 0.0091 0.0581 0.0556
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0034 0.0077 0.0051
Trypanosoma brucei metacaspase MCA2 0.0034 0.0077 0.0127
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0076 0.0449 0.229
Echinococcus multilocularis apoptotic protease activating factor 1 0.0032 0.0056 0.003
Echinococcus multilocularis GPCR, family 2 0.003 0.0036 0.0009
Echinococcus multilocularis importin subunit beta 1 0.0051 0.0223 0.0197
Mycobacterium ulcerans lipase LipD 0.0063 0.0336 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0036 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0271 0.0245
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0036 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0063 0.0336 0.2792
Mycobacterium tuberculosis Probable lipase LipD 0.0063 0.0336 0.0994
Mycobacterium tuberculosis Probable dehydrogenase 0.0067 0.0369 0.1091
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0063 0.0336 0.031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0076 0.0449 0.0423
Brugia malayi RNA binding protein 0.0056 0.0271 0.1326
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0074 0.0435 0.1288
Mycobacterium ulcerans hypothetical protein 0.0063 0.0336 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1172 0.2504
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0336 0.0777
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0157 0.1172 0.621
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0037 0.0104 0.0169
Trypanosoma cruzi lanosterol synthase, putative 0.0474 0.4005 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0056 0.0271 0.0534
Brugia malayi beta-lactamase family protein 0.0063 0.0336 0.1676
Brugia malayi Cell death protein 3 precursor 0.0066 0.0363 0.1822
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Onchocerca volvulus Cell death protein 3 homolog 0.0066 0.0363 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Echinococcus multilocularis beta LACTamase domain containing family member 0.0063 0.0336 0.031
Schistosoma mansoni survival motor neuron protein 0.0048 0.0199 0.0173
Trichomonas vaginalis penicillin-binding protein, putative 0.0063 0.0336 0.2792
Mycobacterium tuberculosis Conserved protein 0.0063 0.0336 0.0994
Echinococcus multilocularis caspase 2 0.0066 0.0363 0.0337
Brugia malayi TAR-binding protein 0.0056 0.0271 0.1326
Leishmania major GTP-binding protein, putative 0.0037 0.0104 0.0194
Trypanosoma brucei lanosterol synthase 0.0474 0.4005 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0029 0.0033 0.0098
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0037 0.0104 0.5
Trypanosoma cruzi metacaspase, putative 0.0034 0.0077 0.0127
Echinococcus granulosus beta LACTamase domain containing family member 0.0063 0.0336 0.031
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Entamoeba histolytica hypothetical protein 0.0041 0.0138 1
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0271 0.0245
Leishmania major lanosterol synthase, putative 0.0474 0.4005 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0404 0.3379 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0067 0.0369 0.1091
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0063 0.0336 0.0994
Schistosoma mansoni ran 0.0037 0.0104 0.0077
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0063 0.0336 0.0994
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0036 0.0009
Schistosoma mansoni hypothetical protein 0.003 0.0036 0.0009
Trypanosoma brucei metacaspase MCA3 0.0034 0.0077 0.0127
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0067 0.0369 0.1091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0076 0.0449 0.0923
Loa Loa (eye worm) hypothetical protein 0.0235 0.187 0.4031
Echinococcus multilocularis snurportin 1 0.054 0.46 0.4585
Brugia malayi MH2 domain containing protein 0.0117 0.0817 0.4286
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0036 0.0048
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0037 0.0104 0.2495
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0041 0.0138 0.1003
Brugia malayi latrophilin 2 splice variant baaae 0.0064 0.0343 0.1713
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0063 0.0336 0.1676
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0036 0.0009
Brugia malayi Importin beta-1 subunit 0.0051 0.0223 0.1066
Loa Loa (eye worm) hypothetical protein 0.0051 0.0223 0.043
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0037 0.0104 0.0077
Echinococcus multilocularis thioredoxin glutathione reductase 0.003 0.0036 0.001
Schistosoma mansoni hypothetical protein 0.0064 0.0343 0.0317
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0034 0.0077 0.1637
Trypanosoma brucei importin beta-1 subunit, putative 0.0051 0.0223 0.0494
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0271 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Schistosoma mansoni caspase-3 (C14 family) 0.0091 0.0581 0.0556
Trypanosoma cruzi metacaspase, putative 0.0034 0.0077 0.0127
Onchocerca volvulus 0.0048 0.0199 0.4662
Schistosoma mansoni microtubule-associated protein tau 0.1144 1 1
Leishmania major metacaspase, putative 0.0034 0.0077 0.0127
Trypanosoma cruzi lanosterol synthase, putative 0.0474 0.4005 1
Brugia malayi RNA recognition motif domain containing protein 0.0056 0.0271 0.1326
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0036 0.0009
Echinococcus granulosus caspase 8 0.0034 0.0077 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0076 0.0449 0.0423
Mycobacterium tuberculosis Probable hydrolase 0.0063 0.0336 0.0994
Plasmodium falciparum metacaspase-like protein 0.0034 0.0077 0.2332
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Mycobacterium tuberculosis Probable esterase LipL 0.0063 0.0336 0.0994
Trypanosoma cruzi importin beta-1 subunit, putative 0.0041 0.0138 0.0279
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0817 0.1728
Toxoplasma gondii thioredoxin reductase 0.0029 0.0033 0.02
Brugia malayi beta-lactamase 0.0063 0.0336 0.1676
Trypanosoma brucei importin beta-1 subunit, putative 0.0051 0.0223 0.0494
Brugia malayi hypothetical protein 0.0032 0.0056 0.016
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0033 0.0016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0094 0.0607 0.3148
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0037 0.0104 0.0194
Echinococcus multilocularis tar DNA binding protein 0.0056 0.0271 0.0245
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0817 0.1728
Trypanosoma cruzi metacaspase, putative 0.0034 0.0077 0.0127
Loa Loa (eye worm) beta-lactamase 0.0063 0.0336 0.0676
Leishmania major trypanothione reductase 0.0029 0.0033 0.0016
Echinococcus granulosus GPCR family 2 0.003 0.0036 0.0009
Mycobacterium ulcerans beta-lactamase 0.0063 0.0336 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0043 0.0153 0.0127
Loa Loa (eye worm) hypothetical protein 0.0066 0.0363 0.0735
Onchocerca volvulus 0.0063 0.0336 0.9121
Trypanosoma cruzi metacaspase, putative 0.0034 0.0077 0.0127
Schistosoma mansoni caspase-7 (C14 family) 0.0066 0.0363 0.0337
Trypanosoma cruzi metacaspase 5, putative 0.0034 0.0077 0.0127
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0076 0.0449 0.0423
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.054 0.46 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0199 0.0935
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Entamoeba histolytica Ran family GTPase 0.0037 0.0104 0.6947
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0065
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0077 0.0457
Loa Loa (eye worm) hypothetical protein 0.0063 0.0336 0.0676
Mycobacterium tuberculosis Conserved protein 0.0063 0.0336 0.0994
Loa Loa (eye worm) hypothetical protein 0.0034 0.0077 0.0111
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0034 0.0077 0.0457
Loa Loa (eye worm) glutathione reductase 0.0029 0.0033 0.0014
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0074 0.0435 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0034 0.0077 0.1637
Echinococcus granulosus apoptotic protease activating factor 1 0.0032 0.0056 0.003
Trypanosoma brucei metacaspase 5, putative 0.0034 0.0077 0.0127

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 nM Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes ChEMBL. 12747780
IC50 (binding) = 16 nM Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes ChEMBL. 12747780
IC50 (binding) = 29 nM Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius ChEMBL. 12747780
IC50 (binding) = 29 nM Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius ChEMBL. 12747780

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.