Amiodarone

Chemical Properties

SMILES CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight 645.0

Drug Properties

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

Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pKB 7.25 7.25 7.25 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.07 4.07 4.07 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 4.41 4.41 4.41 ChEMBL
CCR4 CCR4 Human Chemokine A pIC50 4.66 4.66 4.66 ChEMBL
CCR4 CCR4 Human Chemokine A pKi 4.94 4.94 4.94 ChEMBL
B2 BKRB2 Human Bradykinin A pIC50 4.89 4.89 4.89 ChEMBL
B2 BKRB2 Human Bradykinin A pKi 5.12 5.12 5.12 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 4.89 4.89 4.89 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.23 5.23 5.23 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 4.71 4.71 4.71 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.19 5.19 5.19 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL
H2 HRH2 Human Histamine A pIC50 4.98 4.98 4.98 ChEMBL
H2 HRH2 Human Histamine A pKi 4.98 4.98 4.98 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.51 6.51 6.51 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.93 6.93 6.93 ChEMBL
ETA EDNRA Human Endothelin A pIC50 4.58 4.58 4.58 ChEMBL
ETA EDNRA Human Endothelin A pKi 4.79 4.79 4.79 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.02 5.02 5.02 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.05 5.05 5.05 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.82 5.82 5.82 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.97 5.97 5.97 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 4.91 4.91 4.91 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.97 4.97 4.97 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 4.36 4.36 4.36 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.6 4.6 4.6 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 4.37 4.37 4.37 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 4.5 4.5 4.5 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.44 5.44 5.44 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.3 6.3 6.3 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 4.96 4.96 4.96 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 5.37 5.37 5.37 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.5 5.5 5.5 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.17 6.17 6.17 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.04 6.04 6.04 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.23 6.23 6.23 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.04 5.04 5.04 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.34 5.34 5.34 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.29 5.29 5.29 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.74 5.74 5.74 ChEMBL
D4 DRD4 Human Dopamine A pIC50 4.75 4.75 4.75 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.21 5.21 5.21 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 4.71 4.71 4.71 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.04 5.04 5.04 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 4.86 4.86 4.86 ChEMBL
MC4 MC4R Human Melanocortin A pKi 4.88 4.88 4.88 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.39 6.39 6.39 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.45 5.45 5.45 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.99 5.99 5.99 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.92 5.92 5.92 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.39 6.39 6.39 ChEMBL
A3 AA3R Human Adenosine A pIC50 4.76 4.76 4.76 ChEMBL
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
δ OPRD Human Opioid A pKi 5.55 5.55 5.55 ChEMBL
δ OPRD Human Opioid A pIC50 5.1 5.1 5.1 ChEMBL
κ OPRK Human Opioid A pIC50 4.78 4.78 4.78 ChEMBL
κ OPRK Human Opioid A pKi 5.18 5.18 5.18 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.95 5.0 ChEMBL
μ OPRM Human Opioid A pIC50 4.72 4.72 4.72 ChEMBL
μ OPRM Human Opioid A pKi 5.11 5.11 5.11 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.7 4.7 4.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.18 5.18 5.18 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL