Molecule Details
InChIKeyIGBXJMWATREZDP-BBOXLHDRSA-N
Canonical SMILES[C][C][C@@H]([C])[C@H]1[N]C(=O)[C@H](c2ccc([O])cc2)[N]C(=O)[C]([O])[C]SS[C][C@H](C(=O)N2[C][C][C][C@@H]2C(=O)[N][C@@H]([C][C][C][N]C(=O)c2ccc(C3=C4[C]=[C]C(N([C])[C])=[C][C]4OC4=[C]C(=[N+]([C])[C])[C]=[C][C]43)c(C([O])=O)c2)C(=O)[N][C][N])[N]C(=O)[C@@H]([C]C([N])=O)[N]C(=O)[C@@H]([C][C]C([N])=O)[N]C1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL9.09
SourceBindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P30559 OXTR Homo sapiens Human PF00001 10.1 Ki BindingDB
P37288 AVPR1A Homo sapiens Human PF00001 PF08983 8.1 Ki BindingDB