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 |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.33 | 5.67 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.74 | 6.64 | 7.55 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.1 | 6.96 | 7.82 | 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 |