apomorphine


SMILES CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O
InChIKey VMWNQDUVQKEIOC-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Molecular weight (Da) 267.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7JVQ
Ligand site mutations 5-HT2A D2 D3 D5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 6.9 6.9 6.9 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 7.2 7.2 7.2 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 7.4 7.4 7.4 Guide to Pharmacology
D1 DRD1 Human Dopamine A pKi 5.3 5.75 6.2 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.1 6.85 7.6 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.4 7.1 7.8 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.73 6.73 6.73 ChEMBL
D3 DRD3 Rat Dopamine A pKi 7.44 7.44 7.44 ChEMBL
D1 DRD1 Rat Dopamine A pKi 6.0 6.59 7.28 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.01 7.86 8.74 ChEMBL
D2 DRD2 Rat Dopamine A pKd 5.8 6.16 6.7 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.05 8.05 8.05 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.53 6.53 6.53 ChEMBL
D1 DRD1 Human Dopamine A pKd 6.17 6.17 6.17 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.18 6.78 8.34 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.77 8.12 8.59 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.27 6.56 6.93 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.61 7.48 9.21 ChEMBL
D2 DRD2 Human Dopamine A pKd 6.9 7.9 9.18 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
D2 DRD2 Human Dopamine A pKi 8.04 8.04 8.04 Drug Central
D3 DRD3 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
D4 DRD4 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
D5 DRD5 Human Dopamine A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Rat Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.17 8.17 8.17 Drug Central
D1 DRD1 Rat Dopamine A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.06 8.06 8.06 Drug Central
D1 DRD1 Mouse Dopamine A pKi 8.15 8.15 8.15 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D2 DRD2 Human Dopamine A pKi 5.7 6.6 7.5 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 6.7 6.7 6.7 ChEMBL
D1 DRD1 Mouse Dopamine A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pEC50 8.26 8.45 8.82 ChEMBL
D3 DRD3 Rat Dopamine A pIC50 7.16 7.42 7.57 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 5.52 6.32 6.62 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.52 7.68 9.0 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 7.28 8.47 9.4 ChEMBL
D4 DRD4 Human Dopamine A pEC50 8.37 8.37 8.37 ChEMBL
D1 DRD1 Human Dopamine A pEC50 6.28 7.38 8.42 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.15 8.15 8.15 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.24 8.17 8.8 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.93 7.66 8.38 ChEMBL
D4 DRD4 Rat Dopamine A pEC50 8.05 8.05 8.05 Drug Central