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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max 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 Rat 5-Hydroxytryptamine A pKi 7.59 7.59 7.59 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
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
H1 HRH1 Human Histamine A pKi 8.14 8.14 8.14 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
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