Detailed information for compound 228212

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.592 | Formula: C25H38N4O6
  • H donors: 3 H acceptors: 4 LogP: 2.33 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)C(=O)NCCN1CCOCC1)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
  • InChi: 1S/C25H38N4O6/c1-4-20(22(30)24(32)26-10-11-29-12-14-34-15-13-29)27-23(31)21(16-18(2)3)28-25(33)35-17-19-8-6-5-7-9-19/h5-9,18,20-21H,4,10-17H2,1-3H3,(H,26,32)(H,27,31)(H,28,33)
  • InChiKey: ONIATLXCZWBRKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin B Starlite/ChEMBL References
Homo sapiens calpain 2, (m/II) large subunit Starlite/ChEMBL References
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
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus calpain A 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 cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
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
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus calpain A calpain 2, (m/II) large subunit 622 aa 663 aa 31.2 %
Echinococcus granulosus calpain A calpain 1, (mu/I) large subunit 714 aa 753 aa 31.7 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0393 0.6352 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni neuropeptide receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0393 0.6352 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0393 0.6352 1
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.0443 0.2124
Schistosoma mansoni amine GPCR 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni adenoreceptor 0.0078 0.0443 0.0443
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0393 0.6352 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0443 0.0443
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.0443 0.0443
Schistosoma mansoni neuropeptide receptor 0.0078 0.0443 0.0443
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0097 0.0791 0.3795
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni hypothetical protein 0.0393 0.6352 0.6352
Schistosoma mansoni neuropeptide f receptor 76f 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.2083 0.328
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0393 0.6352 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0138 0.1553 0.188
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni hypothetical protein 0.0078 0.0443 0.0443
Entamoeba histolytica DNA repair and recombination protein, putative 0.0393 0.6352 0.5
Toxoplasma gondii cathepsin B 0.0055 0 0.5
Brugia malayi calpain family protein 1 0.0132 0.1442 0.6089
Loa Loa (eye worm) calpain family protein 1 0.0097 0.0791 0.3795
Brugia malayi calpain family protein 1 0.0132 0.1442 0.6089
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni neuropeptide receptor 0.0078 0.0443 0.0443
Schistosoma mansoni hypothetical protein 0.0078 0.0443 0.0443
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2083 0.2083
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0393 0.6352 1
Echinococcus granulosus calpain A 0.0138 0.1553 0.188
Echinococcus multilocularis cathepsin b 0.0166 0.2083 0.2777
Schistosoma mansoni biogenic amine receptor 0.0078 0.0443 0.0443
Schistosoma mansoni opsin-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0393 0.6352 1
Schistosoma mansoni neuropeptide receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0078 0.0443 0.0443
Echinococcus multilocularis calpain A 0.0138 0.1553 0.188
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0138 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0078 0.0443 0.0443
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Entamoeba histolytica hypothetical protein, conserved 0.0393 0.6352 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.1442 0.692
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.0443 0.2124
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0393 0.6352 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Echinococcus multilocularis cathepsin b 0.0166 0.2083 0.2777
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0117 0.1162 0.5577
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2083 0.2083
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni histamine h1 receptor 0.0078 0.0443 0.0443
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0138 0.1553 0.188
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0078 0.0443 0.0443
Schistosoma mansoni alpha-1 adrenergic receptor 0.0078 0.0443 0.0443
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0393 0.6352 1
Schistosoma mansoni amine GPCR 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) TYRA-2 protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0166 0.2083 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.0443 0.0443
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0393 0.6352 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0443 0.0443
Schistosoma mansoni biogenic amine receptor 0.0078 0.0443 0.0443
Echinococcus multilocularis calpain family protein 1, d 0.0097 0.0791 0.0589
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0082 0.0511 0.2452
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Echinococcus granulosus cathepsin b 0.0166 0.2083 0.2777
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni biogenic amine receptor 0.0078 0.0443 0.0443
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0132 0.1442 0.1442
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni hypothetical protein 0.0078 0.0443 0.0443
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0078 0.0443 0.0443
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0078 0.0443 0.0443
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0443 0.0443
Schistosoma mansoni growth hormone secretagogue receptor 0.0078 0.0443 0.0443
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni amine GPCR 0.0078 0.0443 0.0443
Giardia lamblia Rrm3p helicase 0.0393 0.6352 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.0443 0.0443
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.2083 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0078 0.0443 0.2124
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.0443 0.0443
Schistosoma mansoni myosin xvIII 0.0078 0.0443 0.0443
Schistosoma mansoni hypothetical protein 0.0078 0.0443 0.0443
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0138 0.1553 0.1553
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0078 0.0443 0.2124
Schistosoma mansoni amine GPCR 0.0078 0.0443 0.0443
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2083 0.2083
Schistosoma mansoni opsin-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) calpain family protein 1 0.0132 0.1442 0.692
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.2083 0.2083
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Onchocerca volvulus 0.0082 0.0511 1
Echinococcus granulosus cathepsin b 0.0166 0.2083 0.2777
Loa Loa (eye worm) hypothetical protein 0.0078 0.0443 0.2124
Schistosoma mansoni opsin-like receptor 0.0078 0.0443 0.0443
Loa Loa (eye worm) melatonin receptor type 1A 0.0078 0.0443 0.2124
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0443 0.0443
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0078 0.0443 0.2124

Activities

Activity type Activity value Assay description Source Reference
IC (functional) = 23 uM Platelet membrane permeability. ChEMBL. 8831774
Ki (binding) = 0.16 nM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 1 nM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774
Ki (binding) = 2.5 nM Inhibition of human cathepsin B ChEMBL. 8831774
Ki (binding) = 0.16 uM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 1 uM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774
Ki (binding) = 2.5 uM Inhibition of human cathepsin B ChEMBL. 8831774

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.

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