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 granulosus calpain A 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
Loa Loa (eye worm) hypothetical protein 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
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d 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) 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 mansoni family C2 unassigned peptidase (C02 family) 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
Loa Loa (eye worm) hypothetical protein 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-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
Schistosoma japonicum Calpain-A, putative 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
Loa Loa (eye worm) calpain family protein 1 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 granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Schistosoma mansoni intermediate filament proteins 0.0027 0.035 0.0376
Echinococcus granulosus multidrug resistance protein 1 0.0054 0.2161 0.2646
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Brugia malayi ABC transporter 0.0031 0.0592 0.0986
Giardia lamblia Multidrug resistance-associated protein 1 0.0052 0.2074 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0052 0.2074 0.254
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0535 0.0466
Echinococcus granulosus calpain A 0.0025 0.0201 0.0246
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0246
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0031 0.0592 0.0986
Brugia malayi TAR-binding protein 0.0063 0.2821 0.6615
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Leishmania major p-glycoprotein e 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.035 0.0279
Trypanosoma cruzi calpain-like 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) hypothetical protein 0.0058 0.2474 0.2419
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2074 0.2016
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Echinococcus multilocularis calpain 5 0.0025 0.0201 0.0246
Plasmodium vivax ABC transporter B family member 6, putative 0.0031 0.0592 0.0986
Echinococcus granulosus calpain 5 0.0025 0.0201 0.0246
Loa Loa (eye worm) calpain family protein 1 0.0066 0.298 0.2929
Schistosoma mansoni smdr2 0.0083 0.4163 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0031 0.0592 0.0986
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.4163 0.5097
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0083 0.4163 0.3796
Echinococcus multilocularis musashi 0.0027 0.035 0.0428
Brugia malayi hypothetical protein 0.0031 0.0592 0.0986
Trichomonas vaginalis abcb9, 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 5, putative 0.0031 0.0592 0.0986
Brugia malayi ABC transporter transmembrane region family protein 0.0052 0.2074 0.4729
Loa Loa (eye worm) RNA binding protein 0.0063 0.2821 0.2769
Brugia malayi ABC transporter transmembrane region family protein 0.0031 0.0592 0.0986
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2821 0.6615
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Entamoeba histolytica P-glycoprotein-5 0.0083 0.4163 1
Schistosoma mansoni multidrug resistance protein 0.0031 0.0592 0.0986
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
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0052 0.2074 0.1576
Echinococcus multilocularis hypothetical protein 0.0025 0.0201 0.0246
Leishmania major ABC-thiol transporter 0.0052 0.2074 0.4729
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0052 0.2074 0.4729
Brugia malayi ABC transporter family protein 0.0083 0.4163 1
Brugia malayi ABC transporter transmembrane region family protein 0.003 0.0519 0.0804
Leishmania major pentamidine resistance protein 1 0.0052 0.2074 0.4729
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0141 0.8074 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0052 0.2074 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
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0142 0.8167 1
Mycobacterium ulcerans two component transcriptional regulator 0.0141 0.8074 1
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0031 0.0592 0.0986
Echinococcus multilocularis calpain 7 (C02 family) 0.0025 0.0201 0.0246
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2821 0.2769
Echinococcus multilocularis lamin 0.0027 0.035 0.0428
Loa Loa (eye worm) multidrug resistance protein 3 0.0083 0.4163 0.412
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0052 0.2074 1
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Giardia lamblia Multidrug resistance-associated protein 1 0.0052 0.2074 1
Entamoeba histolytica ABC transporter, putative 0.0052 0.2074 0.4268
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Plasmodium falciparum multidrug resistance protein 1 0.0083 0.4163 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0083 0.4163 1
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.4163 0.5097
Plasmodium vivax multidrug resistance protein 2, putative 0.0031 0.0592 0.0986
Echinococcus multilocularis calpain family protein 1, d 0.0048 0.1803 0.2208
Brugia malayi P-glycoprotein-like protein 0.0031 0.0592 0.0986
Plasmodium vivax ABC transporter B family member 4, putative 0.0031 0.0592 0.0986
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0141 0.8074 1
Echinococcus multilocularis 0.0031 0.0592 0.0724
Trichomonas vaginalis abcb9, putative 0.0083 0.4163 1
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Echinococcus granulosus calpain 0.0025 0.0201 0.0246
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Brugia malayi multidrug resistance related protein 1 0.0052 0.2074 0.4729
Entamoeba histolytica P-glycoprotein-1 0.0083 0.4163 1
Trypanosoma brucei p-glycoprotein 0.0052 0.2074 1
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.0083 0.4163 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Brugia malayi RNA binding protein 0.0063 0.2821 0.6615
Echinococcus granulosus calpain A 0.0069 0.3183 0.3897
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0083 0.4163 0.412
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0031 0.0592 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2821 0.3455
Loa Loa (eye worm) hypothetical protein 0.0051 0.2002 0.1944
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0025 0.0201 0.0969
Mycobacterium ulcerans hypothetical protein 0.0141 0.8074 1
Schistosoma mansoni multidrug resistance protein 0.0083 0.4163 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.4163 0.5097
Brugia malayi intermediate filament protein 0.0027 0.035 0.0376
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0031 0.0592 0.0986
Echinococcus multilocularis multidrug resistance associated protein 1 0.0052 0.2074 0.254
Echinococcus multilocularis 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
Loa Loa (eye worm) intermediate filament protein 0.0027 0.035 0.0279
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0083 0.4163 0.3796
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0142 0.8167 1
Schistosoma mansoni smdr1 0.0031 0.0592 0.0986
Trichomonas vaginalis taga, putative 0.0083 0.4163 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Schistosoma mansoni multidrug resistance protein 0.003 0.0519 0.0804
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0141 0.8074 1
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0031 0.0592 0.2852
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0031 0.0592 0.2086
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2821 0.2769
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.7526
Echinococcus multilocularis calpain A 0.0069 0.3183 0.3897
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Loa Loa (eye worm) hypothetical protein 0.0052 0.2074 0.2016
Giardia lamblia Multidrug resistance-associated protein 1 0.0051 0.2002 0.9535
Echinococcus multilocularis ATP binding cassette sub family B 0.0031 0.0592 0.0724
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0052 0.2074 0.4729
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0052 0.2074 0.2016
Echinococcus granulosus intermediate filament protein 0.0027 0.035 0.0428
Brugia malayi calpain family protein 1 0.0066 0.298 0.7016
Loa Loa (eye worm) hypothetical protein 0.0083 0.4163 0.412
Loa Loa (eye worm) ABC transporter 0.0031 0.0592 0.0523
Giardia lamblia MRP-like ABC transporter 0.0052 0.2074 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.2821 0.3455
Echinococcus granulosus ATP binding cassette sub family B 0.003 0.0519 0.0636
Entamoeba histolytica P-glycoprotein 5, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0592 0.0523
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) calpain family protein 1 0.0048 0.1803 0.1743
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.7526
Echinococcus granulosus lamin 0.0027 0.035 0.0428
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0083 0.4163 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.4163 0.5097
Trypanosoma brucei multidrug resistance protein E 0.0052 0.2074 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0052 0.2074 1
Loa Loa (eye worm) calpain 0.0025 0.0201 0.013
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
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
Brugia malayi ABC transporter family protein 0.0031 0.0592 0.0986
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0052 0.2074 0.254
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
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0069 0.3183 0.3897
Entamoeba histolytica P-glycoprotein-2 0.0083 0.4163 1
Schistosoma mansoni lamin 0.0027 0.035 0.0376
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Onchocerca volvulus 0.0083 0.4163 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.4163 0.5097
Loa Loa (eye worm) hypothetical protein 0.0066 0.298 0.2929
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.035 0.0376
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi Cytochrome P450 family protein 0.003 0.0535 0.0844
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0141 0.8074 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0082 0.409 0.5008
Echinococcus multilocularis calpain 0.0025 0.0201 0.0246
Echinococcus granulosus ATP binding cassette sub family B 0.0031 0.0592 0.0724
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Mycobacterium ulcerans putative regulatory protein 0.0141 0.8074 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0069 0.3183 0.3897
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0083 0.4163 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0052 0.2074 0.4268
Giardia lamblia ABC transporter, putative 0.0052 0.2074 1
Entamoeba histolytica hypothetical protein 0.0052 0.2074 0.4268
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0031 0.0592 0.2852
Trypanosoma cruzi multidrug resistance protein E, putative 0.0052 0.2074 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0031 0.0592 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.035 0.0279
Plasmodium vivax multidrug resistance protein 1, putative 0.0083 0.4163 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1297 0.1233
Echinococcus multilocularis multidrug resistance protein 1 0.0054 0.2161 0.2646
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0519 0.045
Plasmodium vivax ABC transporter B family member 3, putative 0.0031 0.0592 0.0986
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Schistosoma mansoni lamin 0.0027 0.035 0.0376
Echinococcus granulosus lamin dm0 0.0027 0.035 0.0428
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0052 0.2074 0.4729
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0141 0.8074 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0031 0.0592 0.0986
Entamoeba histolytica ATP-binding cassette protein, putative 0.0052 0.2074 0.4268
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0054 0.2161 0.4505
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0083 0.4163 0.4773
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0201 0.0969
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2821 0.6615
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0031 0.0592 0.2086
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0141 0.8074 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0083 0.4163 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.4163 1
Brugia malayi ABC transporter 0.003 0.0519 0.0804
Trichomonas vaginalis abcb9, putative 0.0083 0.4163 1
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0141 0.8074 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.4163 0.412
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0052 0.2074 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.409 0.5008
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.4163 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0031 0.0592 0.0198
Loa Loa (eye worm) hypothetical protein 0.0048 0.1803 0.1743
Echinococcus multilocularis lamin dm0 0.0027 0.035 0.0428
Trichomonas vaginalis ABC transporter, putative 0.0083 0.4163 1
Toxoplasma gondii hypothetical protein 0.0169 1 1
Plasmodium vivax ABC transporter B family member 7, putative 0.0031 0.0592 0.0986
Brugia malayi calpain family protein 1 0.0066 0.298 0.7016
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0031 0.0592 0.0986
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0141 0.8074 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0052 0.2074 0.4729
Entamoeba histolytica P-glycoprotein-2 0.0083 0.4163 1
Schistosoma mansoni multidrug resistance protein 0.0052 0.2074 0.4729
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.4163 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0031 0.0592 0.0198
Echinococcus granulosus multidrug resistance associated protein 1 0.0052 0.2074 0.254
Echinococcus granulosus calpain 7 C02 family 0.0025 0.0201 0.0246
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0031 0.0592 0.0986
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
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0201 0.0969
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.003 0.0519 0.0804
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0141 0.8074 1
Onchocerca volvulus 0.0041 0.1297 0.2484

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.