N-chloromethyl-brucine
SMILES | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl |
InChIKey | GCEPQLWZBVGLQN-CQIPDZJVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 443.2 |
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 |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 4.1 | 4.1 | 4.1 | Guide to Pharmacology |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 4.6 | 4.6 | 4.6 | Guide to Pharmacology |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 3.3 | 3.3 | 3.3 | Guide to Pharmacology |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKd | 4.4 | 4.4 | 4.4 | Guide to Pharmacology |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKd | 4.4 | 4.4 | 4.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |