Detailed information for compound 203240

Basic information

Technical information
  • TDR Targets ID: 203240
  • Name: 6-chloro-2-methyl-1,1-dioxo-N-[(2S)-1-oxo-3-p henylpropan-2-yl]-3,4-dihydrobenzo[e]thiazine -3-carboxamide
  • MW: 406.883 | Formula: C19H19ClN2O4S
  • H donors: 1 H acceptors: 4 LogP: 2.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C[C@H](Cc1ccccc1)NC(=O)C1Cc2cc(Cl)ccc2S(=O)(=O)N1C
  • InChi: 1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1
  • InChiKey: ICVMQKWIUIJYIR-BHWOMJMDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-1-benzyl-2-oxo-ethyl]-6-chloro-2-methyl-1,1-dioxo-3,4-dihydrobenzo[e]thiazine-3-carboxamide
  • N-[(1S)-1-benzyl-2-oxoethyl]-6-chloro-2-methyl-1,1-dioxo-3,4-dihydrobenzo[e]thiazine-3-carboxamide
  • 6-chloro-2-methyl-1,1-dioxo-N-[(2S)-1-oxo-3-phenyl-propan-2-yl]-3,4-dihydrobenzo[e][1,2]thiazine-3-carboxamide
  • N-[(1S)-1-benzyl-2-keto-ethyl]-6-chloro-1,1-diketo-2-methyl-3,4-dihydrobenzo[e]thiazine-3-carboxamide
  • 6-chloro-N-[(1S)-1-formyl-2-phenyl-ethyl]-2-methyl-1,1-dioxo-3,4-dihydrobenzo[e]thiazine-3-carboxamide
  • 6-chloro-N-[(1S)-1-formyl-2-phenylethyl]-2-methyl-1,1-dioxo-3,4-dihydrobenzo[e]thiazine-3-carboxamide
  • N-[(1S)-1-(benzyl)-2-keto-ethyl]-6-chloro-1,1-diketo-2-methyl-3,4-dihydrobenzo[e]thiazine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calpain 1, (mu/I) large subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus calpain A calpain 1, (mu/I) large subunit 714 aa 753 aa 31.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis calpain 5 0.0025 0.0201 0.0246
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0031 0.0592 0.0986
Echinococcus multilocularis multidrug resistance associated protein 1 0.0052 0.2074 0.254
Brugia malayi ABC transporter transmembrane region family protein 0.003 0.0519 0.0804
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Brugia malayi calpain family protein 1 0.0066 0.298 0.7016
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Schistosoma mansoni multidrug resistance protein 0.0031 0.0592 0.0986
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Brugia malayi ABC transporter transmembrane region family protein 0.0052 0.2074 0.4729
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.035 0.0279
Plasmodium vivax ABC transporter B family member 4, putative 0.0031 0.0592 0.0986
Toxoplasma gondii hypothetical protein 0.0169 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Echinococcus multilocularis lamin 0.0027 0.035 0.0428
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.7526
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0052 0.2074 0.4729
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0083 0.4163 0.4773
Mycobacterium ulcerans two component transcriptional regulator 0.0141 0.8074 1
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0141 0.8074 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0052 0.2074 1
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Echinococcus granulosus multidrug resistance protein 1 0.0054 0.2161 0.2646
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.3897
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2821 0.3455
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0025 0.0201 0.0969
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Loa Loa (eye worm) calpain family protein 1 0.0048 0.1803 0.1743
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Schistosoma mansoni smdr2 0.0083 0.4163 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0031 0.0592 0.0198
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.4163 0.5097
Entamoeba histolytica P-glycoprotein-2 0.0083 0.4163 1
Onchocerca volvulus 0.0083 0.4163 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0031 0.0592 0.0986
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0052 0.2074 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0083 0.4163 0.3796
Entamoeba histolytica multidrug resistance protein, putative 0.0052 0.2074 0.4268
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0052 0.2074 0.4729
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.003 0.0519 0.0804
Echinococcus multilocularis calpain 7 (C02 family) 0.0025 0.0201 0.0246
Brugia malayi ABC transporter 0.003 0.0519 0.0804
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0052 0.2074 0.254
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.409 0.5008
Entamoeba histolytica P-glycoprotein-1 0.0083 0.4163 1
Echinococcus multilocularis 0.0031 0.0592 0.0724
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Schistosoma mansoni lamin 0.0027 0.035 0.0376
Entamoeba histolytica P-glycoprotein 6, putative 0.0031 0.0592 0.0198
Trypanosoma brucei p-glycoprotein 0.0052 0.2074 1
Trichomonas vaginalis abcb9, putative 0.0083 0.4163 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0141 0.8074 1
Schistosoma mansoni smdr1 0.0031 0.0592 0.0986
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0535 0.0466
Plasmodium vivax ABC transporter B family member 5, putative 0.0031 0.0592 0.0986
Brugia malayi hypothetical protein 0.0031 0.0592 0.0986
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0141 0.8074 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0592 0.0523
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1803 0.1743
Echinococcus multilocularis lamin dm0 0.0027 0.035 0.0428
Loa Loa (eye worm) RNA binding protein 0.0063 0.2821 0.2769
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0052 0.2074 0.4729
Brugia malayi P-glycoprotein-like protein 0.0031 0.0592 0.0986
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2821 0.2769
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0083 0.4163 1
Echinococcus granulosus calpain A 0.0069 0.3183 0.3897
Loa Loa (eye worm) hypothetical protein 0.0052 0.2074 0.2016
Brugia malayi calpain family protein 1 0.0066 0.298 0.7016
Onchocerca volvulus 0.0041 0.1297 0.2484
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0083 0.4163 0.5
Schistosoma mansoni lamin 0.0027 0.035 0.0376
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0083 0.4163 0.3796
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0031 0.0592 0.2086
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0031 0.0592 0.0986
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0031 0.0592 0.0986
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Brugia malayi ABC transporter transmembrane region family protein 0.0031 0.0592 0.0986
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0141 0.8074 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0142 0.8167 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0052 0.2074 0.2016
Brugia malayi Cytochrome P450 family protein 0.003 0.0535 0.0844
Loa Loa (eye worm) hypothetical protein 0.0052 0.2074 0.2016
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Echinococcus granulosus ATP binding cassette sub family B 0.003 0.0519 0.0636
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0031 0.0592 0.2852
Entamoeba histolytica P-glyco protein 6, putative 0.0083 0.4163 1
Entamoeba histolytica P-glycoprotein-5 0.0083 0.4163 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0031 0.0592 0.2086
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Schistosoma mansoni multidrug resistance protein 0.003 0.0519 0.0804
Loa Loa (eye worm) hypothetical protein 0.0066 0.298 0.2929
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Echinococcus multilocularis hypothetical protein 0.0025 0.0201 0.0246
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0141 0.8074 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0082 0.409 0.5008
Loa Loa (eye worm) multidrug resistance protein 3 0.0083 0.4163 0.412
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0083 0.4163 0.412
Giardia lamblia ABC transporter, putative 0.0052 0.2074 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Loa Loa (eye worm) calpain family protein 1 0.0066 0.298 0.2929
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0083 0.4163 1
Echinococcus granulosus ATP binding cassette sub family B 0.0031 0.0592 0.0724
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Echinococcus granulosus multidrug resistance protein 1 0.0054 0.2161 0.2646
Mycobacterium ulcerans putative regulatory protein 0.0141 0.8074 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0246
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.7526
Echinococcus granulosus calpain A 0.0025 0.0201 0.0246
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Entamoeba histolytica P-glycoprotein-2, putative 0.0083 0.4163 1
Plasmodium vivax ABC transporter B family member 3, putative 0.0031 0.0592 0.0986
Trichomonas vaginalis abcb9, putative 0.0083 0.4163 1
Brugia malayi TAR-binding protein 0.0063 0.2821 0.6615
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0031 0.0592 0.0986
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0141 0.8074 1
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Entamoeba histolytica hypothetical protein 0.0052 0.2074 0.4268
Entamoeba histolytica P-glycoprotein-2 0.0083 0.4163 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Plasmodium vivax ABC transporter B family member 6, putative 0.0031 0.0592 0.0986
Brugia malayi ABC transporter 0.0031 0.0592 0.0986
Plasmodium vivax ABC transporter B family member 7, putative 0.0031 0.0592 0.0986
Mycobacterium ulcerans hypothetical protein 0.0141 0.8074 1
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0141 0.8074 1
Entamoeba histolytica ABC transporter, putative 0.0052 0.2074 0.4268
Trypanosoma brucei multidrug resistance protein E 0.0052 0.2074 1
Plasmodium vivax multidrug resistance protein 2, putative 0.0031 0.0592 0.0986
Loa Loa (eye worm) hypothetical protein 0.0051 0.2002 0.1944
Echinococcus multilocularis calpain family protein 1, d 0.0048 0.1803 0.2208
Leishmania major p-glycoprotein 0.0083 0.4163 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Loa Loa (eye worm) hypothetical protein 0.0082 0.409 0.4047
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Brugia malayi RNA binding protein 0.0063 0.2821 0.6615
Echinococcus granulosus tar DNA binding protein 0.0063 0.2821 0.3455
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0052 0.2074 0.4729
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Echinococcus granulosus calpain 0.0025 0.0201 0.0246
Echinococcus granulosus calpain 7 C02 family 0.0025 0.0201 0.0246
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Leishmania major pentamidine resistance protein 1 0.0052 0.2074 0.4729
Trichomonas vaginalis abcb9, putative 0.0083 0.4163 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0051 0.2002 0.9535
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Echinococcus granulosus ATP binding cassette sub family B 0.0031 0.0592 0.0724
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0141 0.8074 1
Echinococcus multilocularis musashi 0.0027 0.035 0.0428
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Giardia lamblia Multidrug resistance-associated protein 1 0.0052 0.2074 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2821 0.2769
Schistosoma mansoni intermediate filament proteins 0.0027 0.035 0.0376
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Leishmania major p-glycoprotein e 0.0052 0.2074 0.4729
Echinococcus granulosus lamin 0.0027 0.035 0.0428
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0054 0.2161 0.4505
Echinococcus granulosus calpain 5 0.0025 0.0201 0.0246
Brugia malayi multidrug resistance related protein 1 0.0052 0.2074 0.4729
Giardia lamblia MRP-like ABC transporter 0.0052 0.2074 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.2474 0.2419
Entamoeba histolytica P-glycoprotein 5, putative 0.0083 0.4163 1
Leishmania major ABC-thiol transporter 0.0052 0.2074 0.4729
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0052 0.2074 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.4163 0.5097
Echinococcus multilocularis multidrug resistance associated protein 7 0.0052 0.2074 0.254
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0031 0.0592 0.0986
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0169 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0052 0.2074 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1297 0.1233
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Echinococcus granulosus intermediate filament protein 0.0027 0.035 0.0428
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Echinococcus multilocularis calpain A 0.0069 0.3183 0.3897
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0031 0.0592 0.0986
Echinococcus multilocularis multidrug resistance protein 1 0.0054 0.2161 0.2646
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0142 0.8167 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0031 0.0592 0.2852
Brugia malayi multidrug resistance protein 3 0.0083 0.4163 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.298 0.7016
Loa Loa (eye worm) intermediate filament protein 0.0027 0.035 0.0279
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.3183 0.3897
Loa Loa (eye worm) hypothetical protein 0.003 0.0519 0.045
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0031 0.0592 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Plasmodium falciparum multidrug resistance protein 1 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.4163 0.412
Loa Loa (eye worm) calpain 0.0025 0.0201 0.013
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0141 0.8074 1
Brugia malayi intermediate filament protein 0.0027 0.035 0.0376
Echinococcus granulosus multidrug resistance associated protein 1 0.0052 0.2074 0.254
Brugia malayi ABC transporter family protein 0.0083 0.4163 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0031 0.0592 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.4163 0.412
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2821 0.6615
Plasmodium vivax multidrug resistance protein 1, putative 0.0083 0.4163 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0052 0.2074 0.1576
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Trichomonas vaginalis taga, putative 0.0083 0.4163 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.035 0.0376
Trypanosoma cruzi multidrug resistance protein E, putative 0.0052 0.2074 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Echinococcus granulosus lamin dm0 0.0027 0.035 0.0428
Giardia lamblia Multidrug resistance-associated protein 1 0.0052 0.2074 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0031 0.0592 0.5
Echinococcus multilocularis calpain 0.0025 0.0201 0.0246
Loa Loa (eye worm) hypothetical protein 0.0027 0.035 0.0279

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 nM Inhibitory activity towards human calpain I ChEMBL. 11585453
IC50 (binding) = 5 nM Inhibitory activity towards human calpain I ChEMBL. 11585453
IC50 (binding) = 15 nM Inhibitory activity towards human calpain I ChEMBL. 11585453
IC50 (binding) = 15 nM Inhibitory activity towards human calpain I ChEMBL. 11585453
IC50 (functional) = 2.2 uM Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) ChEMBL. 11585453
IC50 (functional) = 2.2 uM Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line) ChEMBL. 11585453

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.