histamine


SMILES NCCc1cnc[nH]1
InChIKey NTYJJOPFIAHURM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 111.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 8YN4 9L42 8YUU 7DFL 7YFC 8YN2 9IXJ 9JED 9JEQ 8JXT 9M1P 9M3S 9LRC 9LRB 9LRE 9LRD 8POK 8HN8 8YN5 8YN9 8YN3
Ligand site mutations H1 H3 H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 4.7 5.3 5.9 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 7.8 8.05 8.3 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 7.8 8.05 8.3 Guide to Pharmacology
H2 HRH2 Rat Histamine A pKi 3.8 3.8 3.8 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
H4 HRH4 Rat Histamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 7.2 7.55 7.9 Guide to Pharmacology
H3 HRH3 Mouse Histamine A pKi 7.1 7.45 7.8 Guide to Pharmacology
H2 HRH2 Human Histamine A pKi 8.37 8.37 8.37 Drug Central
H3 HRH3 Human Histamine A pKi 8.08 8.08 8.08 Drug Central
H4 HRH4 Human Histamine A pKi 8.09 8.09 8.09 Drug Central
TA1 TAAR1 Human Trace amine A pKi 8.26 8.26 8.26 Drug Central
H4 HRH4 Mouse Histamine A pKi 8.15 8.15 8.15 Drug Central
H4 HRH4 Rat Histamine A pKi 8.14 8.14 8.14 Drug Central
H3 HRH3 Rat Histamine A pKi 8.09 8.09 8.09 Drug Central
H3 HRH3 Mouse Histamine A pKi 8.14 8.14 8.14 Drug Central
H3 HRH3 Guinea pig Histamine A pKi 8.01 8.01 8.01 Drug Central
H4 Q91ZY3 Guinea pig Histamine A pKi 8.09 8.09 8.09 Drug Central
H1 HRH1 Human Histamine A pKi 8.39 8.39 8.39 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Guinea pig Histamine A pEC50 8.22 8.22 8.22 Drug Central
H1 HRH1 Guinea pig Histamine A pEC50 8.17 8.17 8.17 Drug Central
H1 HRH1 Rat Histamine A pEC50 8.27 8.27 8.27 Drug Central