PROTRIPTYLINE
SMILES | CNCCCC1c2ccccc2C=Cc2ccccc21 |
InChIKey | BWPIARFWQZKAIA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 263.2 |
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 |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 7.22 | 7.22 | 7.22 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 6.4 | 6.6 | 6.8 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 8.05 | 8.05 | 8.05 | Drug Central |