neomycin


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N
InChIKey PGBHMTALBVVCIT-VCIWKGPPSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 13
Rotatable bonds 9
Molecular weight (Da) 614.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pKi 4.0 4.0 4.0 Guide to Pharmacology
B1 BKRB1 Mouse Bradykinin A pKi 6.7 6.7 6.7 Guide to Pharmacology
B2 BKRB2 Mouse Bradykinin A pKd 9.4 9.4 9.4 Guide to Pharmacology
B1 BKRB1 Rat Bradykinin A pKi 5.1 5.2 5.3 Guide to Pharmacology
B2 BKRB2 Human Bradykinin A pKi 8.96 9.49 10.19 ChEMBL
B2 BKRB2 Rat Bradykinin A pKi 9.34 9.34 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Human Bradykinin A pIC50 7.0 8.15 9.3 Guide to Pharmacology
B2 BKRB2 Mouse Bradykinin A pIC50 9.3 9.3 9.3 Guide to Pharmacology
Olfactory 51E2 O51E2 Human Olfactory A pEC50 8.89 8.89 8.89 ChEMBL
B2 BKRB2 Human Bradykinin A pIC50 8.74 8.74 8.74 ChEMBL
B2 BKRB2 Human Bradykinin A pEC50 10.31 10.31 10.31 ChEMBL