2-(3-chlorophenyl)histamine


SMILES NCCc1cnc([nH]1)c1cccc(c1)Cl
InChIKey DHGUFKPZDMQBED-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 221.1

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
A2A AA2AR Human Adenosine A pKi 7.1 7.1 7.1 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 7.0 7.0 7.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.11 6.23 6.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.12 7.12 7.12 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Guinea pig Adenosine A pEC50 4.9 4.9 4.9 ChEMBL
A1 AA1R Rat Adenosine A pIC50 5.86 5.86 5.86 ChEMBL