Molecule Details
InChIKeyNLKNPWNNYCYNKB-UHFFFAOYSA-N
Compound Name3-Oxo-18-oxa-2,5,9,11-tetrazahexacyclo[17.6.2.22,5.113,17.07,11.022,26]triaconta-1(25),7,9,13(28),14,16,19(27),20,22(26),23-decaene-16-carbonitrile
Canonical SMILESN#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CC1=O)Cc1cncn1C2
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.79
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P49354 FNTA Homo sapiens Human PF01239 10.0 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 9.8 IC50 ChEMBL;BindingDB
P53609 PGGT1B Homo sapiens Human PF00432 6.5 IC50 ChEMBL