terfenadine


SMILES OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 471.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations H1

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKd 6.52 6.98 7.45 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 5.73 5.73 5.73 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.05 6.05 6.05 ChEMBL
H1 HRH1 Human Histamine A pKi 7.4 8.2 8.7 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
CCR5 CCR5 Human Chemokine A pKi 6.07 6.07 6.07 ChEMBL
H1 HRH1 Human Histamine A pKi 7.24 7.74 8.59 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.87 5.87 5.87 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.29 6.29 6.29 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.14 7.14 7.14 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.69 5.69 5.69 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
D1 DRD1 Human Dopamine A pKi 8.23 8.23 8.23 Drug Central
D2 DRD2 Human Dopamine A pKi 8.25 8.25 8.25 Drug Central
D3 DRD3 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
H1 HRH1 Human Histamine A pKi 8.06 8.06 8.06 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.22 8.22 8.22 Drug Central
CCR5 CCR5 Human Chemokine A pKi 8.22 8.22 8.22 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
H1 HRH1 Guinea pig Histamine A pKd 8.13 8.13 8.13 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Guinea pig Histamine A pIC50 6.53 6.78 7.03 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.48 5.48 5.48 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.57 5.57 5.57 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.95 5.03 5.1 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.43 5.43 5.43 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.96 5.96 5.96 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.25 7.64 9.0 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.57 5.57 5.57 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.88 5.88 5.88 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.32 7.32 7.32 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.91 5.91 5.91 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.54 5.54 5.54 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.82 5.82 5.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.59 6.59 6.59 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.21 5.21 5.21 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.26 8.26 8.26 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL