Molecule Details
InChIKeyPRAPAJSGMGWZLK-UHFFFAOYSA-N
Compound Name1,4-Bis(9H-beta-carboline-3-carboxylic acid tert-butyl ester)buta-1,3-diyne
Canonical SMILESCC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.92
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P14867 GABRA1 Homo sapiens Human PF02931 PF02932 6.9 Ki ChEMBL;BindingDB
P18507 GABRG2 Homo sapiens Human PF02931 PF02932 6.9 Ki ChEMBL
P28472 GABRB3 Homo sapiens Human PF02931 PF02932 6.9 Ki ChEMBL