promethazine


SMILES CN(C(CN1c2ccccc2Sc2c1cccc2)C)C
InChIKey PWWVAXIEGOYWEE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 284.1

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 9.62 9.62 9.62 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.5 7.5 7.5 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.05 7.05 7.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.62 7.62 7.62 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.48 8.48 8.48 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
H2 HRH2 Human Histamine A pKi 5.94 5.94 5.94 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.98 8.98 8.98 ChEMBL
H1 HRH1 Human Histamine A pKi 9.48 9.48 9.48 ChEMBL
H1 HRH1 Rat Histamine A pKi 8.4 8.49 8.54 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.38 8.38 8.38 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.83 5.83 5.83 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.59 6.59 6.59 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.86 5.86 5.86 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.95 5.95 5.95 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.37 7.37 7.37 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.92 7.92 7.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.48 8.48 8.48 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.72 6.72 6.72 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 ChEMBL
H4 HRH4 Human Histamine A pKi 6.82 6.82 6.82 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
D1 DRD1 Bovine Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 6.62 6.62 6.62 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.77 6.77 6.77 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.75 5.75 5.75 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.59 6.59 6.59 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 7.74 9.62 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 8.49 8.49 8.49 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.1 8.1 8.1 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.08 8.08 8.08 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
D1 DRD1 Human Dopamine A pKi 8.23 8.23 8.23 Drug Central
D2 DRD2 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
H1 HRH1 Human Histamine A pKi 8.02 8.02 8.02 Drug Central
H2 HRH2 Human Histamine A pKi 8.23 8.23 8.23 Drug Central
H4 HRH4 Human Histamine A pKi 8.17 8.17 8.17 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 7.41 7.41 7.41 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.1 7.1 7.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.74 6.74 6.74 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 8.34 8.34 8.34 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.61 5.61 5.61 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.93 5.93 5.93 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 8.12 8.12 8.12 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.27 8.4 8.54 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 7.7 7.7 7.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.59 5.59 5.59 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.17 6.17 6.17 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.56 5.56 5.56 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.62 5.62 5.62 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.17 7.17 7.17 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.46 7.46 7.46 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.92 7.92 7.92 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 7.85 7.85 7.85 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.25 6.25 6.25 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.17 7.4 7.64 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.11 6.55 7.0 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.15 8.15 8.15 Drug Central