fenoldopam


SMILES Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O
InChIKey TVURRHSHRRELCG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 1
Molecular weight (Da) 305.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7CKW 8JLQ 7X2C
Ligand site mutations D2 D5

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 6.5 6.83 7.9 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.949999999999999 6.95 6.95 Guide to Pharmacology
A2B AA2BR Rat Adenosine A pKi 7.45 7.45 7.45 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 6.1 6.1 6.1 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.52 8.71 8.91 ChEMBL
D2 DRD2 Rat Dopamine A pKd 4.89 5.52 5.89 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.88 7.88 7.88 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.4 7.4 7.4 ChEMBL
D1 DRD1 Human Dopamine A pKd 5.74 6.64 7.55 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.33 5.67 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.09 6.09 6.09 ChEMBL
D5 DRD5 Human Dopamine A pKi 6.1 6.96 7.82 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.74 6.64 7.55 PDSP Ki database
D2 DRD2 Dog Dopamine A pKi 8.55 8.55 8.55 PDSP Ki database
D1 DRD1 Human Dopamine A pKd 8.12 8.12 8.12 Drug Central
D2 DRD2 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D5 DRD5 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.21 8.21 8.21 Drug Central
A2B AA2BR Rat Adenosine A pKi 8.13 8.13 8.13 Drug Central
D1 DRD1 Rat Dopamine A pKi 8.07 8.07 8.07 Drug Central
D2 DRD2 Rat Dopamine A pKd 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Bovine Dopamine A pIC50 5.8 5.8 5.8 ChEMBL
D1 DRD1 Rat Dopamine A pEC50 7.24 7.24 7.24 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.2 5.2 5.2 ChEMBL
D1 DRD1 Human Dopamine A pEC50 7.5 8.03 8.55 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 5.57 5.57 5.57 ChEMBL
TA1 TAAR1 Human Trace amine A pIC50 5.09 5.09 5.09 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL