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 7DFL 8JXT 8POK 7YFC 8YUU 8YN3 8YN5 8YN9 8YN2 8YN4 8HN8
Ligand site mutations H1 H3 H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 Q91ZY3 Guinea pig Histamine A pKi 8.22 8.22 8.22 ChEMBL
H4 HRH4 Mouse Histamine A pKi 5.67 6.61 7.38 ChEMBL
H4 HRH4 Mouse Histamine A pKd 7.38 7.38 7.38 ChEMBL
H1 HRH1 Rat Histamine A pKd 8.0 8.0 8.0 ChEMBL
H4 HRH4 Rat Histamine A pKi 6.87 7.04 7.2 ChEMBL
H4 HRH4 Rat Histamine A pKd 6.87 6.87 6.87 ChEMBL
H3 HRH3 Mouse Histamine A pKi 7.17 7.17 7.17 ChEMBL
H1 HRH1 Guinea pig Histamine A pKd 8.0 8.91 9.11 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 4.9 4.9 4.9 ChEMBL
H3 HRH3 Rat Histamine A pKi 8.2 8.2 8.2 ChEMBL
H4 HRH4 Human Histamine A pKi 6.66 7.72 9.0 ChEMBL
H4 HRH4 Human Histamine A pKd 7.8 8.05 8.3 ChEMBL
H2 HRH2 Human Histamine A pKi 4.3 5.75 6.58 ChEMBL
H2 HRH2 Human Histamine A pKd 7.91 7.91 7.91 ChEMBL
H1 HRH1 Human Histamine A pKi 4.1 4.8 5.62 ChEMBL
H1 HRH1 Human Histamine A pKd 8.35 8.35 8.35 ChEMBL
H3 HRH3 Human Histamine A pKi 6.23 7.62 8.6 ChEMBL
H3 HRH3 Human Histamine A pKd 8.52 8.52 8.52 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 4.2 5.51 7.8 PDSP Ki database
H3 HRH3 Human Histamine A pKi 5.0 7.79 8.63 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 4.57 5.3 7.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 4.3 5.7 7.8 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.22 5.22 5.22 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 4.7 5.3 5.9 Guide to Pharmacology
H3 HRH3 Human Histamine A pKd 8.0 8.0 8.0 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 7.8 8.05 8.3 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 8.39 8.39 8.39 Drug Central
TA1 TAAR1 Human Trace amine A pKi 8.26 8.26 8.26 Drug Central
H3 HRH3 Rat Histamine A pKi 6.8 7.81 8.6 PDSP Ki database
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 7.8 8.05 8.3 Guide to Pharmacology
H4 HRH4 Human Histamine A pKd 7.4 7.9 8.4 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 5.46 7.58 8.6 PDSP Ki database
H4 HRH4 Human Histamine A pKi 8.09 8.09 8.09 Drug Central
TA1 TAAR1 Human Trace amine A pKi 5.51 5.51 5.51 PDSP Ki database
H2 HRH2 Rat Histamine A pKi 3.8 3.8 3.8 Guide to Pharmacology
H2 HRH2 Rat Histamine A pKi 7.77 7.77 7.77 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Mouse Histamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKd 7.4 7.4 7.4 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 8.15 8.15 8.15 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Rat Histamine A pKi 7.2 7.2 7.2 Guide to Pharmacology
H4 HRH4 Rat Histamine A pKd 6.9 6.9 6.9 Guide to Pharmacology
H4 HRH4 Rat Histamine A pKi 8.14 8.14 8.14 Drug Central
H1 HRH1 Rat Histamine A pKi 4.4 4.7 5.0 PDSP Ki database
H3 HRH3 Rat Histamine A pKi 7.2 7.55 7.9 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 8.09 8.09 8.09 Drug Central
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Mouse Histamine A pKi 7.1 7.45 7.8 Guide to Pharmacology
H3 HRH3 Mouse Histamine A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 5.0 5.67 6.0 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 7.98 8.91 9.84 ChEMBL
H3 HRH3 Guinea pig Histamine A pKi 7.0 7.0 7.0 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 8.01 8.01 8.01 Drug Central
H4 Q91ZY3 Guinea pig Histamine A pKi 6.98 8.41 9.85 PDSP Ki database
H4 Q91ZY3 Guinea pig Histamine A pKi 8.09 8.09 8.09 Drug Central
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 5.17 6.13 7.06 ChEMBL
H1 HRH1 Rat Histamine A pEC50 5.35 5.35 5.35 ChEMBL
H4 HRH4 Rat Histamine A pEC50 4.28 5.76 6.8 ChEMBL
H1 HRH1 Guinea pig Histamine A pEC50 6.7 6.73 6.79 ChEMBL
H3 HRH3 Rat Histamine A pEC50 7.21 7.21 7.21 ChEMBL
H4 HRH4 Human Histamine A pEC50 5.75 7.66 8.13 ChEMBL
H2 HRH2 Human Histamine A pEC50 5.26 5.94 6.94 ChEMBL
H1 HRH1 Human Histamine A pEC50 6.7 6.92 7.89 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.8 6.8 6.8 ChEMBL
H3 HRH3 Human Histamine A pEC50 6.19 7.77 8.6 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL
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