Molecule Details
InChIKeyXLWBILUNGOIIFR-OWBPVYLJSA-N
Compound Name5-ethyl-6-fluoro-4-[(4R,7S,8S)-14-fluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-oxa-2,12,16,18,20-pentazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]naphthalen-2-ol
Canonical SMILESCCc1c(F)ccc2cc(O)cc(-c3nc4c5c(nc(OC[C@@]67CCCN6C[C@H](F)C7)nc5c3F)N3C[C@H]5CC[C@H](N5)[C@H]3CO4)c12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL9.3
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P01116 KRAS Homo sapiens Human PF00071 9.7 Kd BindingDB
P27361 MAPK3 Homo sapiens Human PF00069 9.1 IC50 ChEMBL
P28482 MAPK1 Homo sapiens Human PF00069 9.1 IC50 ChEMBL