gallamine
SMILES | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC |
InChIKey | OZLPUNFFCJDMJD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 21 |
Molecular weight (Da) | 510.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.43 | 5.97 | 6.33 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.07 | 5.07 | 5.07 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.76 | 5.76 | 5.76 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 5.9 | 6.1 | 6.3 | Guide to Pharmacology |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.8 | 6.7 | 7.6 | Guide to Pharmacology |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.58 | 5.58 | 5.58 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.6 | 4.67 | 4.75 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.7 | 5.91 | 6.11 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |
M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 6.88 | 6.88 | 6.89 | ChEMBL |