p-F-HHSiD
SMILES | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 |
InChIKey | RVTKNIPUELNCNR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 12 |
Rotatable bonds | 24 |
Molecular weight (Da) | 851.4 |
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 | pKi | 7.65 | 7.68 | 7.7 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.88 | 6.89 | 6.9 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.8 | 7.8 | 7.81 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.5 | 7.5 | 7.5 | PDSP Ki database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.03 | 7.03 | 7.03 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |