BENZTROPINE
SMILES | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 |
InChIKey | GIJXKZJWITVLHI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 307.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.77 | 7.77 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 8.96 | 9.05 | 9.15 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.64 | 9.64 | 9.64 | PDSP Ki database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.96 | 9.01 | 9.05 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.64 | 6.64 | 6.64 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.6 | 9.6 | 9.6 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.89 | 8.89 | 8.89 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 7.97 | 7.97 | 7.97 | PDSP Ki database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.55 | 8.55 | 8.55 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |