clemastine


SMILES Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C
InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 343.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 10.31 10.31 10.31 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.39 7.39 7.39 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.32 6.58 6.85 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.56 7.89 8.22 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.65 7.25 7.85 ChEMBL
H2 HRH2 Human Histamine A pKi 6.44 6.44 6.44 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.27 7.92 8.56 ChEMBL
H1 HRH1 Human Histamine A pKi 10.31 10.31 10.31 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.25 7.67 8.08 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.77 6.96 7.16 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.12 6.12 6.12 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.44 7.44 7.44 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.64 7.64 7.64 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.93 6.93 6.93 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.28 7.28 7.28 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.7 7.7 7.7 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.6 8.6 8.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.35 7.35 7.35 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.17 8.17 8.17 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.09 8.09 8.09 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.09 8.09 8.09 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
D1 DRD1 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D3 DRD3 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
H1 HRH1 Human Histamine A pKi 8.07 8.07 8.07 Drug Central
H2 HRH2 Human Histamine A pKi 8.19 8.19 8.19 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
D2 DRD2 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 6.45 6.45 6.45 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 7.13 7.13 7.13 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 6.55 6.9 7.25 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.5 7.5 7.5 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.51 6.51 6.51 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 8.08 8.08 8.08 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 7.02 7.02 7.02 ChEMBL
H2 HRH2 Human Histamine A pIC50 6.43 6.43 6.43 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 7.7 7.7 7.7 ChEMBL
H1 HRH1 Human Histamine A pIC50 9.38 9.38 9.38 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 7.41 7.41 7.41 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.74 6.74 6.74 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.81 5.81 5.81 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.11 7.11 7.11 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.44 7.44 7.44 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.0 7.0 7.0 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.13 8.13 8.13 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.5 7.5 7.5 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.87 6.87 6.87 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.14 8.14 8.14 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL