erythromycin
SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O |
InChIKey | ULGZDMOVFRHVEP-RWJQBGPGSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 5 |
Rotatable bonds | 7 |
Molecular weight (Da) | 733.5 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 8IBU |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.48 | 8.66 | 8.7 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |