VANCOMYCIN


SMILES CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
InChIKey MYPYJXKWCTUITO-LYRMYLQWSA-N

Chemical properties

Hydrogen bond acceptors 25
Hydrogen bond donors 19
Rotatable bonds 13
Molecular weight (Da) 1447.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database