Molecule Details
InChIKeyXNOPRXBHLZRZKH-UHFFFAOYSA-N
Compound Name1-(19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-Butan-2-Yl-16-((4-Hydroxyphenyl)Methyl)-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl)-N-(1-((2-Amino-2-Oxoethyl)Amino)-4-Methyl-1-Oxopentan-2-Yl)Pyrrolidine-2-Carboxamide
Canonical SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.07
SourceBindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P30559 OXTR Homo sapiens Human PF00001 9.2 Ki BindingDB
P37288 AVPR1A Homo sapiens Human PF00001 PF08983 6.9 Ki BindingDB