brucine
| SMILES | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 |
| InChIKey | RRKTZKIUPZVBMF-IBTVXLQLSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 394.2 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 4.5 | 4.83 | 5.8 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 4.3 | 4.38 | 4.6 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 3.6 | 3.8 | 4.0 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKd | 4.7 | 5.35 | 6.0 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKd | 2.9 | 2.9 | 2.9 | Guide to Pharmacology |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.35 | 4.35 | 4.35 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TAS2R10 | T2R10 | Human | Taste 2 | T2 | pEC50 | 4.22 | 4.22 | 4.22 | ChEMBL |