Molecule Details
InChIKeyDQKGGUJIFZQGEB-NDBXHCKUSA-N
Compound Name(6R,9S,12S)-12-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-9-(2-methylpropyl)-8,11-dioxo-1,7,10,15,16-pentazabicyclo[12.2.1]heptadeca-14(17),15-diene-6-carboxamide
Canonical SMILESCC(=O)N[C@H]1Cc2cn(nn2)CCCC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.88
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O15393 TMPRSS2 Homo sapiens Human PF15494 PF00089 8.4 IC50 ChEMBL
P05981 HPN Homo sapiens Human PF09272 PF00089 7.8 IC50 ChEMBL
Q9Y5Y6 ST14 Homo sapiens Human PF00431 PF00057 PF01390 PF00089 7.4 IC50 ChEMBL