diphenhydramine


SMILES CN(CCOC(c1ccccc1)c1ccccc1)C
InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 255.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 9N29
Ligand site mutations TAS2R40

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 7.9 7.9 7.9 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKd 7.93 7.93 7.93 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.85 5.85 5.85 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.6 5.6 5.6 ChEMBL
H4 HRH4 Human Histamine A pKi 4.37 4.67 4.96 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.64 6.79 6.94 ChEMBL
H1 HRH1 Human Histamine A pKi 7.43 7.65 7.83 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.1 7.19 7.28 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.79 5.79 5.79 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.86 6.94 7.02 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.96 6.05 6.15 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.43 6.61 6.79 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.29 6.38 6.48 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.96 7.02 7.08 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.43 6.56 6.7 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Human Histamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
H4 HRH4 Human Histamine A pKi 8.36 8.36 8.36 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Guinea pig Histamine A pIC50 9.0 9.0 9.0 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.6 6.15 6.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.54 5.54 5.54 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.26 5.26 5.26 ChEMBL
H4 HRH4 Human Histamine A pIC50 4.96 4.96 4.96 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.5 6.64 6.79 ChEMBL
H1 HRH1 Human Histamine A pIC50 4.08 5.36 6.77 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.24 6.33 6.43 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.37 5.37 5.37 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.19 6.27 6.35 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.76 5.86 5.95 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.98 6.16 6.34 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.01 6.11 6.2 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.35 6.4 6.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.89 6.03 6.16 ChEMBL
H1 HRH1 Guinea pig Histamine A pIC50 8.05 8.05 8.05 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL