ketotifen


SMILES CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1
InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 0
Molecular weight (Da) 309.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations H1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKd 9.5 9.5 9.5 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 9.51 9.51 9.51 ChEMBL
H4 HRH4 Human Histamine A pKi 4.68 4.68 4.68 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.49 6.49 6.49 ChEMBL
H2 HRH2 Human Histamine A pKi 5.39 5.39 5.39 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.85 6.85 6.85 ChEMBL
H1 HRH1 Human Histamine A pKi 9.8 9.83 9.86 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.33 6.33 6.33 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.5 7.52 7.54 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.53 6.53 6.53 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.7 6.89 7.08 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.57 6.57 6.57 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.18 6.18 6.18 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.8 7.93 8.05 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 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 8.09 8.09 8.09 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 8.15 8.15 8.15 Drug Central
5-HT6 5HT6R 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 8.2 8.2 8.2 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
D1 DRD1 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
H1 HRH1 Human Histamine A pKi 8.02 8.02 8.02 Drug Central
H1 HRH1 Guinea pig Histamine A pKi 8.02 8.02 8.02 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.28 6.28 6.28 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.57 6.57 6.57 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.09 6.09 6.09 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
H2 HRH2 Human Histamine A pKi 8.27 8.27 8.27 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 6.0 6.38 6.75 ChEMBL
H4 HRH4 Human Histamine A pIC50 4.68 4.68 4.68 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.15 6.15 6.15 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.38 5.38 5.38 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.0 6.0 6.0 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.64 7.64 9.0 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.66 5.66 5.66 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.6 5.6 5.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.34 7.34 7.34 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.08 6.08 6.08 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.8 6.8 6.8 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.95 5.95 5.95 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.71 5.71 5.71 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.51 7.51 7.51 ChEMBL
H4 HRH4 Human Histamine A pIC50 8.33 8.33 8.33 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.94 5.94 5.94 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.43 6.43 6.43 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.43 5.43 5.43 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.66 5.66 5.66 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.06 6.06 6.06 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.4 5.4 5.4 ChEMBL