Astemizole

Chemical Properties

SMILES COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 458.2

Drug Properties

Type Small molecule
Endogenous No
Approved Yes
InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N

Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.52 8.52 8.52 Guide to Pharmacology
SST5 SSR5 Human Somatostatin A pKi 5.39 5.39 5.39 ChEMBL
H1 HRH1 Guinea pig Histamine A pKd 8.42 8.42 8.42 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 5.86 5.86 5.86 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 6.76 6.76 6.76 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.02 7.02 7.02 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.42 5.42 5.42 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.76 5.76 5.76 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.53 5.53 5.53 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.0 6.0 6.0 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.62 7.62 7.62 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.0 8.0 8.0 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.71 5.71 5.71 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.54 6.54 6.54 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.77 5.77 5.77 ChEMBL
H2 HRH2 Human Histamine A pKi 5.78 5.78 5.78 ChEMBL
H4 HRH4 Human Histamine A pKi 5.1 5.1 5.1 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.32 5.32 5.32 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.11 6.11 6.11 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.64 5.64 5.64 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.67 5.67 5.67 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.15 6.15 6.15 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.3 6.3 6.3 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 4.81 4.81 4.81 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.87 4.87 4.87 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 4.76 4.76 4.76 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
H1 HRH1 Human Histamine A pKi 8.52 8.66 8.79 ChEMBL
H1 HRH1 Human Histamine A pIC50 7.85 7.85 7.85 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 5.09 5.09 5.09 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.22 5.22 5.22 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.73 5.73 5.73 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.59 6.59 6.59 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 4.8 4.8 4.8 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.07 5.07 5.07 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.08 6.08 6.08 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.75 6.75 6.75 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.92 7.92 7.92 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.4 5.4 5.4 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.7 5.7 5.7 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.85 5.85 5.85 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.3 6.3 6.3 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.22 5.22 5.22 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.67 5.67 5.67 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.12 6.12 6.12 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.49 5.49 5.49 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 4.85 4.85 4.85 ChEMBL
MC4 MC4R Human Melanocortin A pKi 4.87 4.87 4.87 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.97 5.97 5.97 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.59 6.59 6.59 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.75 6.75 6.75 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.03 7.03 7.03 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.7 7.7 7.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.36 6.36 6.36 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.83 6.83 6.83 ChEMBL
A3 AA3R Human Adenosine A pIC50 4.54 4.54 4.54 ChEMBL
A3 AA3R Human Adenosine A pKi 4.78 4.78 4.78 ChEMBL
δ OPRD Human Opioid A pIC50 4.89 4.89 4.89 ChEMBL
δ OPRD Human Opioid A pKi 5.34 5.34 5.34 ChEMBL
κ OPRK Human Opioid A pIC50 5.18 5.18 5.18 ChEMBL
κ OPRK Human Opioid A pKi 5.58 5.58 5.58 ChEMBL
μ OPRM Human Opioid A pIC50 5.83 5.83 5.83 ChEMBL
μ OPRM Human Opioid A pKi 6.22 6.22 6.22 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.34 5.34 5.34 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.82 5.82 5.82 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.28 7.28 7.28 PDSP KiDatabase
H1 HRH1 Guinea pig Histamine A pKi 8.1 8.1 8.1 PDSP KiDatabase
H1 HRH1 Human Histamine A pKi 4.0 6.05 8.1 PDSP KiDatabase
SST2 SSR2 Human Somatostatin A pKi 4.0 4.0 4.0 PDSP KiDatabase
SST3 SSR3 Human Somatostatin A pKi 4.0 4.0 4.0 PDSP KiDatabase
SST4 SSR4 Human Somatostatin A pKi 4.0 4.0 4.0 PDSP KiDatabase