(-)-bremazocine
SMILES | CC[C@]12CCN([C@@H](C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1 |
InChIKey | ZDXGFIXMPOUDFF-XLIONFOSSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 315.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 7.57 | 7.57 | 7.57 | Guide to Pharmacology |
H1 | HRH1 | Human | Histamine | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 7.14 | 8.0 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pIC50 | 7.11 | 7.29 | 7.82 | ChEMBL |