p-F-HHSiD
SMILES | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O |
InChIKey | ZNSZQJHTFRQUPD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 349.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | M1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.32 | 7.32 | 7.32 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.1 | 7.45 | 7.8 | Guide to Pharmacology |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.35 | 6.6 | Guide to Pharmacology |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.6 | 7.9 | Guide to Pharmacology |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.1 | 7.3 | 7.5 | Guide to Pharmacology |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.96 | 7.0 | 7.03 | PDSP Ki database |
M4 | ACM4 | Mouse | Acetylcholine (muscarinic) | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.52 | 6.64 | 6.76 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |