dopamine


SMILES NCCc1ccc(c(c1)O)O
InChIKey VYFYYTLLBUKUHU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 153.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 7LJD 7CKZ 7F0T 7F1O 7F1Z 7F23 7F24 7X2F
Ligand site mutations α1B α2A β2 5-HT2A D1 D2 D3 D4 D5

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 4.3 4.95 5.6 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 4.7 5.95 7.2 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.4 6.85 7.3 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.6 6.6 6.6 Guide to Pharmacology
D4 DRD4 Rat Dopamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 5.3 5.85 6.4 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 6.01 6.01 6.01 ChEMBL
β2 ADRB2 Dog Adrenoceptors A pKi 4.3 4.3 4.3 ChEMBL
D1 DRD1 Bovine Dopamine A pKi 5.37 6.38 8.15 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 5.0 5.0 5.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.62 7.48 8.85 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 5.47 6.82 8.74 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.61 5.85 5.99 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.36 6.27 6.82 ChEMBL
MT2 MTR1B Human Melatonin A pKi 5.04 5.04 5.04 ChEMBL
MT1 MTR1A Human Melatonin A pKi 5.15 5.15 5.15 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.0 6.53 8.54 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.05 6.49 8.55 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 4.74 5.88 6.91 ChEMBL
D1 DRD1 Human Dopamine A pKd 5.6 5.6 5.6 ChEMBL
D2 DRD2 Rat Dopamine A pKd 4.31 4.68 5.21 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.0 6.89 8.35 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.01 7.78 8.92 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 4.21 4.21 4.21 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 4.19 4.19 4.19 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.8 7.31 8.53 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.04 5.22 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 4.82 6.7 8.72 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 6.15 6.23 6.32 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.35 6.2 6.91 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 5.0 5.81 6.26 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.0 7.15 7.93 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.42 6.26 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.64 6.64 6.64 PDSP Ki database
D2 DRD2 Mouse Dopamine A pKi 5.71 5.71 5.71 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.75 6.42 PDSP Ki database
TA1 TAAR1 Human Trace amine A pKi 6.37 6.37 6.37 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.08 5.1 5.11 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 6.0 6.0 6.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.21 8.21 8.21 PDSP Ki database
D1 DRD1 Pig Dopamine A pKi 5.11 5.11 5.11 PDSP Ki database
D2 A0A287B0Q7 Pig Dopamine A pKi 5.66 5.66 5.66 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 8.38 8.38 8.38 Drug Central
D1 DRD1 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D2 DRD2 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D3 DRD3 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D4 DRD4 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D5 DRD5 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
TA1 TAAR1 Human Trace amine A pKi 8.2 8.2 8.2 Drug Central
MT1 MTR1A Human Melatonin A pKi 8.29 8.29 8.29 Drug Central
MT2 MTR1B Human Melatonin A pKi 8.3 8.3 8.3 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.09 8.09 8.09 Drug Central
A2B AA2BR Rat Adenosine A pKi 8.22 8.22 8.22 Drug Central
D1 DRD1 Rat Dopamine A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.08 8.08 8.08 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
β2 ADRB2 Dog Adrenoceptors A pKi 8.37 8.37 8.37 Drug Central
5-HT5A 5HT5A Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
D2 DRD2 Bovine Dopamine A pKi 8.06 8.06 8.06 Drug Central
D2 DRD2 Dog Dopamine A pKi 8.12 8.12 8.12 PDSP Ki database
5-HT2C 5HT2C Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pEC50 8.57 8.6 8.62 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 6.7 6.7 6.7 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 5.1 5.21 5.33 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 5.77 5.77 5.77 ChEMBL
D5 DRD5 Human Dopamine A pEC50 8.7 8.7 8.7 ChEMBL
D1 DRD1 Rat Dopamine A pEC50 5.3 5.38 5.46 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 5.43 5.68 6.1 ChEMBL
D1 DRD1 Human Dopamine A pEC50 5.85 7.08 7.7 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.27 5.61 5.92 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 5.85 8.03 8.96 ChEMBL
D4 DRD4 Human Dopamine A pEC50 6.57 7.9 8.74 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.09 8.25 9.96 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.33 7.43 9.2 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.0 5.0 6.0 ChEMBL
D4 DRD4 Rat Dopamine A pEC50 8.06 8.06 8.06 Drug Central