Molecule Details
InChIKeyIMTIJVSUXSYPRE-OAMSZMPYSA-N
Compound NameN-[(2S)-1-[[(2S)-1-[[(E,2S)-5-[(2S)-2-(1H-indol-3-ylmethyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylpiperidine-4-carboxamide
Canonical SMILESCOC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C2CCN(C)CC2)[C@H]1Cc1c[nH]c2ccccc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.11
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07711 CTSL Homo sapiens Human PF08246 PF00112 8.5 Ki ChEMBL
P07858 CTSB Homo sapiens Human PF00112 PF08127 6.1 Ki ChEMBL
P25779 Trypanosoma cruzi Pathogen PF12131 PF08246 PF00112 9.7 IC50 ChEMBL