cimetidine [1931]



cimetidine


SMILES CN=C(NC#N)NCCSCc1nc[nH]c1C
InChIKey AQIXAKUUQRKLND-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Log P 0.597
Molecular weight (Da) 252.1
Stereochemistry info unspecified

Database connections

Model (Boltz2) H2
Ligand site mutations H2

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

cimetidine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 1
Phase III 2
Phase IV 3

Database connections

Model (Boltz2) H2
Ligand site mutations H2

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score