Molecule Details
InChIKeyBSMMDWFKXKVYMQ-UHFFFAOYSA-N
Compound Name2-[11,17,23-Tris(diaminomethylideneamino)-25,26,27-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]guanidine
Canonical SMILESCCCOc1c2cc(NC(=N)N)cc1Cc1cc(NC(=N)N)cc(c1OCCC)Cc1cc(NC(=N)N)cc(c1OCCC)Cc1cc(cc(NC(=N)N)c1)C2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.16
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O00206 TLR4 Homo sapiens Human PF12799 PF13516 PF13855 PF01582 6.2 IC50 ChEMBL
P08571 CD14 Homo sapiens Human PF13516 6.2 IC50 ChEMBL
Q9Y6Y9 LY96 Homo sapiens Human PF02221 6.2 IC50 ChEMBL;BindingDB