Detailed information for compound 1424804

Basic information

Technical information
  • TDR Targets ID: 1424804
  • Name: N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrr olidin-1-ylbutyl)quinazolin-2-yl]sulfanylacet amide
  • MW: 454.542 | Formula: C23H26N4O4S
  • H donors: 1 H acceptors: 3 LogP: 2.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccco1)CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1
  • InChi: 1S/C23H26N4O4S/c28-20(24-15-17-7-6-14-31-17)16-32-23-25-19-9-2-1-8-18(19)22(30)27(23)13-5-10-21(29)26-11-3-4-12-26/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,24,28)
  • InChiKey: BHQJONRGUZJZMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-yl-butyl)quinazolin-2-yl]sulfanyl-acetamide
  • N-(2-furylmethyl)-2-[[4-oxo-3-(4-oxo-4-1-pyrrolidinylbutyl)-2-quinazolinyl]thio]acetamide
  • N-(2-furylmethyl)-2-[[4-keto-3-(4-keto-4-pyrrolidin-1-yl-butyl)quinazolin-2-yl]thio]acetamide
  • N-(furan-2-ylmethyl)-2-[4-oxo-3-(4-oxo-4-pyrrolidin-1-yl-butyl)quinazolin-2-yl]sulfanyl-ethanamide
  • MLS000095332
  • Oprea1_667283
  • SMR000030886
  • N-(2-furylmethyl)-2-{[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 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) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.018 0.2783 0.278
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0495 0.0495
Brugia malayi Importin beta-1 subunit 0.0057 0.0748 0.1443
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.2424 0.4702
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.2783 0.7498
Brugia malayi beta-lactamase family protein 0.0038 0.043 0.0826
Schistosoma mansoni hypothetical protein 0.0013 0.0005 0.0005
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0274 0.3623
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0624 0.0624
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.043 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0571 0.0443
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.2048 0.397
Echinococcus multilocularis geminin 0.0333 0.534 0.534
Schistosoma mansoni hypothetical protein 0.0108 0.1591 0.1591
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0181 0.0176
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0495 0.6201
Brugia malayi RNA binding protein 0.0322 0.5151 1
Onchocerca volvulus 0.0038 0.043 0.0466
Echinococcus multilocularis Niemann Pick C1 protein 0.0156 0.2388 0.2388
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0274 0.0274
Echinococcus granulosus tar DNA binding protein 0.0322 0.5151 0.5151
Schistosoma mansoni hypothetical protein 0.0045 0.0543 0.0543
Echinococcus multilocularis GPCR, family 2 0.005 0.0624 0.0624
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0257 0.3389
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.043 0.0425
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0624 0.0624
Echinococcus multilocularis expressed conserved protein 0.0103 0.1498 0.1498
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0257 0.2612
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0181 0.0176
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2048 0.2048
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2048 0.2048
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0083 0.0078
Echinococcus multilocularis protein patched 0.0047 0.0571 0.0571
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.043 0.1099
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0571 0.0571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2048 0.2048
Leishmania major GTP-binding protein, putative 0.0042 0.0495 0.8725
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0495 0.6601
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.043 0.1099
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0571 0.0571
Schistosoma mansoni hypothetical protein 0.0333 0.534 0.534
Mycobacterium tuberculosis Conserved protein 0.0038 0.043 0.1099
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0083 0.139
Schistosoma mansoni tar DNA-binding protein 0.0322 0.5151 0.5151
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.1609 0.1609
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0495 0.8725
Onchocerca volvulus 0.0038 0.043 0.0466
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0083 0.0083
Mycobacterium leprae Probable lipase LipE 0.0038 0.043 1
Schistosoma mansoni hypothetical protein 0.0045 0.0543 0.0543
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.3156 0.3153
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0181 0.0176
Schistosoma mansoni hypothetical protein 0.0045 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0108 0.1591 0.1587
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0257 0.3389
Plasmodium vivax importin-beta 2, putative 0.0057 0.0748 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0624 0.062
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.1609 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2048 0.2048
Mycobacterium ulcerans hypothetical protein 0.0038 0.043 1
Entamoeba histolytica hypothetical protein 0.0047 0.0567 0.0643
Loa Loa (eye worm) hypothetical protein 0.0057 0.0748 0.0743
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0624 0.0624
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.043 0.1099
Brugia malayi N-terminal motif family protein 0.018 0.2783 0.5399
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.0495 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.043 0.572
Loa Loa (eye worm) hypothetical protein 0.0109 0.1609 0.1604
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0274 0.0274
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0748 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0083 0.1052
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.1637 0.1637
Plasmodium vivax SET domain protein, putative 0.0029 0.0274 0.2873
Mycobacterium ulcerans beta-lactamase 0.0038 0.043 1
Schistosoma mansoni hypothetical protein 0.0045 0.0543 0.0543
Brugia malayi TAR-binding protein 0.0322 0.5151 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.043 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0083 0.0083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2048 0.2048
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0057 0.0747 0.0742
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0772 0.0768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2048 0.2048
Brugia malayi Cytochrome P450 family protein 0.0023 0.0181 0.0342
Schistosoma mansoni hypothetical protein 0.005 0.0624 0.0624
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.2424 0.2421
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0257 0.2612
Schistosoma mansoni hypothetical protein 0.005 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Trichomonas vaginalis set domain proteins, putative 0.023 0.3621 1
Echinococcus granulosus geminin 0.0333 0.534 0.534
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.043 0.0826
Brugia malayi Latrophilin receptor protein 2 0.005 0.0624 0.1204
Schistosoma mansoni hypothetical protein 0.005 0.0624 0.0624
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0181 0.3136
Brugia malayi RNA recognition motif domain containing protein 0.0322 0.5151 1
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0181 0.2372
Brugia malayi Cytochrome P450 family protein 0.0023 0.0181 0.0342
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.043 0.1099
Mycobacterium tuberculosis Conserved protein 0.0038 0.043 0.1099
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0005 0.0005
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0495 0.0491
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.043 0.043
Brugia malayi isocitrate dehydrogenase 0.0018 0.0083 0.0152
Leishmania major hypothetical protein, conserved 0.0038 0.043 0.7562
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.387 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0274 0.0269
Leishmania major hypothetical protein, conserved 0.0028 0.0257 0.448
Schistosoma mansoni patched 1 0.0047 0.0571 0.0571
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0567 0.0429
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0083 0.0202
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0495 0.6201
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0613 1 1
Plasmodium falciparum importin beta, putative 0.0057 0.0748 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0257 0.2612
Onchocerca volvulus 0.023 0.3621 1
Toxoplasma gondii ABC1 family protein 0.0038 0.043 0.572
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0571 0.0567
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0083 0.0083
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0495 0.0953
Schistosoma mansoni tar DNA-binding protein 0.0322 0.5151 0.5151
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0083 0.139
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0181 0.4147
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.043 0.043
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.2048 0.2044
Brugia malayi Pre-SET motif family protein 0.0202 0.3156 0.6123
Brugia malayi RNA, U transporter 1 0.0163 0.2511 0.4869
Brugia malayi Cytochrome P450 family protein 0.0059 0.0772 0.1491
Brugia malayi Pre-SET motif family protein 0.0029 0.0274 0.0523
Plasmodium vivax hypothetical protein, conserved 0.0038 0.043 0.5217
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0083 0.1052
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0083 0.139
Schistosoma mansoni cytochrome P450 0.0013 0.0005 0.0005
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.043 0.1099
Echinococcus granulosus importin subunit beta 1 0.0057 0.0748 0.0748
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0083 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.043 0.7562
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0083 0.0083
Loa Loa (eye worm) TAR-binding protein 0.0322 0.5151 0.5149
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0495 0.6601
Schistosoma mansoni tar DNA-binding protein 0.0322 0.5151 0.5151
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0322 0.5151 0.5149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2048 0.2048
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0567 0.0429
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0567 0.0429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0274 0.0274
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0748 0.0748
Mycobacterium ulcerans lipase LipD 0.0038 0.043 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0083 0.0152
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.043 0.7562
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.043 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0571 0.0571
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0083 0.0083
Echinococcus granulosus expressed conserved protein 0.0103 0.1498 0.1498
Loa Loa (eye worm) beta-lactamase 0.0038 0.043 0.0425
Schistosoma mansoni hypothetical protein 0.0613 1 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.043 0.1099
Leishmania major importin beta-1 subunit, putative 0.0047 0.0567 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0257 0.0252
Echinococcus multilocularis snurportin 1 0.0613 1 1
Brugia malayi CHE-14 protein 0.0047 0.0571 0.11
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.2424 0.4702
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.043 0.043
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0257 0.448
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0083 0.0083
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.043 0.1099
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0256 0.0256
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0748 1
Echinococcus granulosus Niemann Pick C1 protein 0.0156 0.2388 0.2388
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0624 0.0624
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0274 0.0274
Onchocerca volvulus 0.0038 0.043 0.0466
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1591 0.3083
Loa Loa (eye worm) hypothetical protein 0.0047 0.0571 0.0567
Loa Loa (eye worm) RNA binding protein 0.0322 0.5151 0.5149
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0495 0.0495
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.1609 0.3116
Brugia malayi beta-lactamase 0.0038 0.043 0.0826
Brugia malayi hypothetical protein 0.0028 0.0257 0.0489
Schistosoma mansoni hypothetical protein 0.0333 0.534 0.534
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0274 0.0274
Schistosoma mansoni ran 0.0042 0.0495 0.0495
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0083 0.1052
Schistosoma mansoni tar DNA-binding protein 0.0322 0.5151 0.5151
Echinococcus multilocularis 0.0013 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.005 0.0624 0.0624
Brugia malayi hypothetical protein 0.0018 0.0092 0.0169
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0181 0.3136
Schistosoma mansoni tar DNA-binding protein 0.0322 0.5151 0.5151
Loa Loa (eye worm) hypothetical protein 0.0158 0.2424 0.2421
Schistosoma mansoni ran 0.0042 0.0495 0.0495
Echinococcus multilocularis protein dispatched 1 0.0053 0.0681 0.0681
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0567 1
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.1609 0.1609
Schistosoma mansoni importin beta-1 0.0057 0.0748 0.0748
Brugia malayi beta-lactamase family protein 0.0038 0.043 0.0826
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Leishmania major cytochrome p450-like protein 0.0023 0.0181 0.3136
Loa Loa (eye worm) hypothetical protein 0.005 0.0624 0.062
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0495 0.8725
Echinococcus granulosus GPCR family 2 0.005 0.0624 0.0624
Trichomonas vaginalis ran, putative 0.0042 0.0495 0.0205
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0274 0.0274
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0257 0.448
Echinococcus multilocularis tar DNA binding protein 0.0322 0.5151 0.5151
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0748 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0624 0.1204
Loa Loa (eye worm) hypothetical protein 0.0038 0.043 0.0425
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.043 0.1099
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0083 0.1052

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-cyp2d6 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-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 4.466835922 uM 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) = 6.309573445 uM 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) = 7.079457844 uM 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
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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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