Dothiepin


SMILES CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31
InChIKey PHTUQLWOUWZIMZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 295.1

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
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.82 6.82 6.82 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 8.4 8.4 8.4 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.74 7.74 7.74 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.96 6.96 6.96 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.42 7.42 7.42 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.21 7.21 7.21 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.04 7.04 7.04 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database