Molecule Details
InChIKeyIZYCQMKDUPSJSI-UHFFFAOYSA-N
Compound Name4-(3,3-Dimethylbut-1-ynyl)-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
Canonical SMILESCC(C)(C)C#Cc1ccc2cc1CN1CCN(CC1=O)Cc1cncn1Cc1ccc(C#N)c(c1)O2
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.66
SourceChEMBL;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 8.0 pIC50 TTD_MultiTarget
P49356 FNTB Homo sapiens Human PF00432 7.7 IC50 ChEMBL
P53609 PGGT1B Homo sapiens Human PF00432 7.3 IC50 ChEMBL